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Dortmund Data Bank
Thermophysical Data for Process Design
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DDB#	Name	CAS-RN	Formula
174	Water	7732-18-5	H₂O	Details
3079	Caffeine	58-08-2	C₈H₁₀N₄O₂	Details

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170 systems with 534 data set/s and 3674 data point/s found What are "Sets" and "Points" in the Dortmund Data Bank?

System Sizes
[⇓ Ternary Mixtures] [⇓ Quaternary Mixtures] [⇓ Quinary Mixtures] [⇓ Other Mixtures]

Ternary Mixtures

No.	DDB#s	Components	Data Sets	Data Points	Details?
1	3 174 3079	Acetonitrile Water Caffeine	4	48	Details
2	4 174 3079	Acetone Water Caffeine	4	48	Details
3	8 174 3079	1,2-Ethanediol Water Caffeine	1	10	Details
4	11 174 3079	Ethanol Water Caffeine	1	9	Details
5	72 174 3079	N,N-Dimethylformamide (DMF) Water Caffeine	5	59	Details
6	75 174 3079	1,4-Dioxane Water Caffeine	7	126	Details
7	84 174 3079	Acetic acid Water Caffeine	1	1	Details
8	110 174 3079	Methanol Water Caffeine	1	11	Details
9	144 174 3079	Pyridine Water Caffeine	1	1	Details
10	151 174 3079	Dimethyl sulfoxide Water Caffeine	4	48	Details
11	174 282 3079	Water 1,2-Propanediol Caffeine	1	10	Details
12	174 716 3079	Water 2,2,2-Trichloro-1,1-ethanediol Caffeine	3	7	Details
13	174 776 3079	Water Antipyrine Caffeine	19	137	Details
14	174 925 3079	Water Anthracene Caffeine	1	4	Details
15	174 927 3079	Water Phenanthrene Caffeine	1	4	Details
16	174 1050 3079	Water Carbon dioxide Caffeine	2	6	Details
17	174 1183 3079	Water Fluoranthene Caffeine	1	4	Details
18	174 1223 3079	Water N-Formylmorpholine Caffeine	1	7	Details
19	174 1594 3079	Water Pyrene Caffeine	1	4	Details
20	174 1595 3079	Water Chrysene Caffeine	1	4	Details
21	174 1596 3079	Water Benz[a]anthracene Caffeine	1	4	Details
22	174 1597 3079	Water Naphthacene Caffeine	1	4	Details
23	174 1598 3079	Water Triphenylene Caffeine	1	4	Details
24	174 1602 3079	Water Benzo[a]pyrene Caffeine	3	22	Details
25	174 1603 3079	Water Coronene Caffeine	2	7	Details
26	174 2291 3079	Water Ethyl lactate Caffeine	1	4	Details
27	174 2542 3079	Water Perylene Caffeine	1	4	Details
28	174 2545 3079	Water 7,12-Dimethylbenz(a)anthracene Caffeine	1	4	Details
29	174 2546 3079	Water 20-Methylcholanthrene Caffeine	1	4	Details
30	174 2615 3079	Water trans-Cinnamic acid Caffeine	1	1	Details
31	174 3079 3347	Water Caffeine D-(+)-Saccharose	1	10	Details
32	174 3079 3465	Water Caffeine α-DL-Alanine	16	96	Details
33	174 3079 3473	Water Caffeine Sodium iodide	1	12	Details
34	174 3079 3725	Water Caffeine L-Serine	8	48	Details
35	174 3079 3729	Water Caffeine Glycine	10	73	Details
36	174 3079 3983	Water Caffeine Cytosine	8	28	Details
37	174 3079 3984	Water Caffeine Uracil	8	24	Details
38	174 3079 3985	Water Caffeine Thymine	8	28	Details
39	174 3079 3989	Water Caffeine 4-Aminobutyric acid	30	210	Details
40	174 3079 4423	Water Caffeine Gallic acid	1	6	Details
41	174 3079 4490	Water Caffeine Potassium thiocyanate	1	6	Details
42	174 3079 4491	Water Caffeine Lithium chloride	1	10	Details
43	174 3079 4577	Water Caffeine Potassium chloride	2	19	Details
44	174 3079 4592	Water Caffeine Nickel chloride	1	12	Details
45	174 3079 4618	Water Caffeine Sodium bromide	1	14	Details
46	174 3079 4673	Water Caffeine 4-Aminobenzoic acid	1	26	Details
47	174 3079 4711	Water Caffeine Glycylglycine	4	31	Details
48	174 3079 4744	Water Caffeine L-Histidine	4	24	Details
49	174 3079 4793	Water Caffeine Potassium nitrate	1	7	Details
50	174 3079 4907	Water Caffeine Calcium chloride	1	5	Details
51	174 3079 4911	Water Caffeine Sodium chloride	42	342	Details
52	174 3079 4938	Water Caffeine Cesium chloride	1	2	Details
53	174 3079 4955	Water Caffeine Magnesium chloride	20	180	Details
54	174 3079 4961	Water Caffeine Potassium bromide	1	10	Details
55	174 3079 4966	Water Caffeine Potassium sulfate	1	5	Details
56	174 3079 4986	Water Caffeine Rubidium chloride	1	10	Details
57	174 3079 5389	Water Caffeine 5,5-Diethylbarbituric acid	2	26	Details
58	174 3079 5390	Water Caffeine 5-Ethyl-5-phenylbarbituric acid	2	30	Details
59	174 3079 5394	Water Caffeine Hydrochlorothiazide	1	5	Details
60	174 3079 5872	Water Caffeine 2-[4'-Aminobenzensulfonamio]-thiazol	1	22	Details
61	174 3079 6311	Water Caffeine Sodium sulfate	1	6	Details
62	174 3079 6331	Water Caffeine Sodium acetate	1	5	Details
63	174 3079 6372	Water Caffeine Sodium thiocyanate	1	7	Details
64	174 3079 6389	Water Caffeine Thorium nitrate	9	54	Details
65	174 3079 6441	Water Caffeine Benzocaine	1	20	Details
66	174 3079 6579	Water Caffeine DL-Valine	8	48	Details
67	174 3079 7851	Water Caffeine L-Phenylalanine	4	24	Details
68	174 3079 7853	Water Caffeine L-Tyrosine	4	24	Details
69	174 3079 9547	Water Caffeine DL-3-Hydroxy-2-aminobutanoic acid	8	48	Details
70	174 3079 9996	Water Caffeine L-Alanyl-L-alanine	4	33	Details
71	174 3079 10001	Water Caffeine Triglycine	2	21	Details
72	174 3079 10666	Water Caffeine Picene	1	3	Details
73	174 3079 13803	Water Caffeine Choline chloride	1	8	Details
74	174 3079 16456	Water Caffeine Sulfadiazine	1	15	Details
75	174 3079 17172	Water Caffeine Polyethylene glycol 400	1	5	Details
76	174 3079 17248	Water Caffeine Xylitol	1	5	Details
77	174 3079 17738	Water Caffeine Polyethylene glycol 250 dimethylether	5	58	Details
78	174 3079 18476	Water Caffeine Sodium benzoate	6	16	Details
79	174 3079 18477	Water Caffeine Sodium salicylate	1	20	Details
80	174 3079 20044	Water Caffeine Thymidine	8	28	Details
81	174 3079 20047	Water Caffeine β-Cyclodextrin	11	65	Details
82	174 3079 20062	Water Caffeine 5-Sulfosalicylic acid	1	20	Details
83	174 3079 20674	Water Caffeine Cytidine	8	28	Details
84	174 3079 20675	Water Caffeine Uridine	8	28	Details
85	174 3079 22986	Water Caffeine 2-Hydroxyethyl ammonium acetate	16	112	Details
86	174 3079 23703	Water Caffeine D-Phenylalanine	8	48	Details
87	174 3079 25771	Water Caffeine (2-Naphthalenyloxy)acetic acid	3	39	Details
88	174 3079 37840	Water Caffeine Escitalopram oxalate	15	135	Details
89	174 3079 39248	Water Caffeine Methyl leucinium bis(trifluoromethylsulfonyl) imide	1	1	Details
90	174 3079 39249	Water Caffeine Ethyl leucinium bis(trifluoromethylsulfonyl) imide	1	1	Details
91	174 3079 39250	Water Caffeine Methyl phenylalaninium bis(trifluoromethylsulfonyl)imide	1	1	Details
92	174 3079 39251	Water Caffeine Ethyl phenylalaninium bis(trifluoromethylsulfonyl)imide	1	1	Details
93	174 3079 39252	Water Caffeine Benzyl glycinium bis(trifluoromethylsulfonyl) imide	1	1	Details
94	174 3079 39253	Water Caffeine Methyl α-Phenylglycinium bis(trifluoromethylsulfonyl)imide	1	1	Details
95	174 3079 40782	Water Caffeine 6-Chloro-1,1-dioxo-4H-benzo[e][1,2, 4]thiadiazine-7-sulfonamide	1	5	Details
96	174 3079 44385	Water Caffeine 6-Trifluoromethyl-3-benzyl-3,4-dihydro-1,2,4- benzothiadiazine-7-sulfonamide 1,1-dioxide	1	5	Details
97	174 3079 44551	Water Caffeine 2-Hydroxyethylammonium butanoate	16	112	Details
98	174 3079 49207	Water Caffeine 2-Hydroxyethyl ammonium hexanoate	16	112	Details

Quaternary Mixtures

No.	DDB#s	Components	Data Sets	Data Points	Details?
1	3 174 3079 22986	Acetonitrile Water Caffeine 2-Hydroxyethyl ammonium acetate	1	1	Details
2	3 174 3079 27650	Acetonitrile Water Caffeine Bis(2-Hydroxyethyl) ammonium acetate	1	1	Details
3	3 174 3079 29347	Acetonitrile Water Caffeine N-Methyl-2-hydroxyethylammonium acetate	1	1	Details
4	3 174 3079 29348	Acetonitrile Water Caffeine N-Methyl-2-hydroxyethylammonium propanoate	1	1	Details
5	3 174 3079 31891	Acetonitrile Water Caffeine Bis(2-hydroxyethyl)ammonium propionate	1	1	Details
6	3 174 3079 33671	Acetonitrile Water Caffeine 2-Hydroxyethyl ammonium propanoate	1	1	Details
7	3 174 3079 44551	Acetonitrile Water Caffeine 2-Hydroxyethylammonium butanoate	1	1	Details
8	3 174 3079 54440	Acetonitrile Water Caffeine Diethanolamine butyrate	1	1	Details
9	4 174 1050 3079	Acetone Water Carbon dioxide Caffeine	4	39	Details
10	8 174 3079 13803	1,2-Ethanediol Water Caffeine Choline chloride	2	20	Details
11	11 174 3079 4962	Ethanol Water Caffeine Potassium carbonate	1	1	Details
12	11 174 3079 6357	Ethanol Water Caffeine Sodium dihydrogen phosphate	1	1	Details
13	11 174 3079 6371	Ethanol Water Caffeine Potassium phosphate	1	1	Details
14	11 174 3079 11385	Ethanol Water Caffeine Dipotassium hydrogen phosphate	1	1	Details
15	11 174 3079 18212	Ethanol Water Caffeine Potassium citrate	1	1	Details
16	84 174 514 3079	Acetic acid Water Menthol Caffeine	1	1	Details
17	140 174 1050 3079	1-Propanol Water Carbon dioxide Caffeine	3	30	Details
18	146 174 3079 4117	Hydrogen chloride Water Caffeine 2-Iodobenzoic acid	1	17	Details
19	146 174 3079 4778	Hydrogen chloride Water Caffeine 4-Iodobenzoic acid	1	16	Details
20	146 174 3079 5596	Hydrogen chloride Water Caffeine 3-Iodobenzoic acid	1	18	Details
21	146 174 3079 5959	Hydrogen chloride Water Caffeine 2-Fluorobenzoic acid	1	22	Details
22	146 174 3079 6148	Hydrogen chloride Water Caffeine 4-Fluorobenzoic acid	1	15	Details
23	146 174 3079 6748	Hydrogen chloride Water Caffeine 3-Fluorobenzoic acid	1	23	Details
24	174 230 3079 13803	Water Glycerol Caffeine Choline chloride	4	48	Details
25	174 282 3079 13803	Water 1,2-Propanediol Caffeine Choline chloride	2	19	Details
26	174 346 514 3079	Water Lauric acid Menthol Caffeine	1	1	Details
27	174 514 653 3079	Water Menthol Lactic acid Caffeine	1	1	Details
28	174 514 2258 3079	Water Menthol Pyruvic acid Caffeine	1	1	Details
29	174 3079 3347 17173	Water Caffeine D-(+)-Saccharose 1-Butyl-3-methylimidazolium tetrafluoroborate	2	6	Details
30	174 3079 3347 18877	Water Caffeine D-(+)-Saccharose Polypropylene glycol 400	1	5	Details
31	174 3079 4577 34501	Water Caffeine Potassium chloride 2-Hydroxypropyl β-cyclodextrin	1	3	Details
32	174 3079 4792 17173	Water Caffeine Sodium nitrate 1-Butyl-3-methylimidazolium tetrafluoroborate	1	4	Details
33	174 3079 4792 44482	Water Caffeine Sodium nitrate Polyethylene glycol 1500	2	8	Details
34	174 3079 4962 3000002	Water Caffeine Potassium carbonate poly(ethylene glycol)	1	1	Details
35	174 3079 6311 17173	Water Caffeine Sodium sulfate 1-Butyl-3-methylimidazolium tetrafluoroborate	1	4	Details
36	174 3079 6357 3000002	Water Caffeine Sodium dihydrogen phosphate poly(ethylene glycol)	1	1	Details
37	174 3079 6371 3000002	Water Caffeine Potassium phosphate poly(ethylene glycol)	1	1	Details
38	174 3079 8180 13803	Water Caffeine D-Sorbitol Choline chloride	4	48	Details
39	174 3079 8180 19643	Water Caffeine D-Sorbitol Tetrabutylphosphonium bromide	5	20	Details
40	174 3079 11385 3000002	Water Caffeine Dipotassium hydrogen phosphate poly(ethylene glycol)	1	1	Details
41	174 3079 12706 13803	Water Caffeine D-Glucose Choline chloride	4	48	Details
42	174 3079 12706 17173	Water Caffeine D-Glucose 1-Butyl-3-methylimidazolium tetrafluoroborate	2	6	Details
43	174 3079 12706 18877	Water Caffeine D-Glucose Polypropylene glycol 400	1	5	Details
44	174 3079 13803 17248	Water Caffeine Choline chloride Xylitol	6	60	Details
45	174 3079 13803 55492	Water Caffeine Choline chloride poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
46	174 3079 17173 32025	Water Caffeine 1-Butyl-3-methylimidazolium tetrafluoroborate L-(+)-Arabinose	2	6	Details
47	174 3079 18212 3000002	Water Caffeine Potassium citrate poly(ethylene glycol)	1	1	Details
48	174 3079 24081 55492	Water Caffeine Choline lactate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
49	174 3079 34159 55492	Water Caffeine Choline propanoate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
50	174 3079 34562 55492	Water Caffeine Choline acetate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
51	174 3079 34563 55492	Water Caffeine Choline butanoate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
52	174 3079 43333 55492	Water Caffeine Cholinium dihydrogenphosphate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
53	174 3079 43334 55492	Water Caffeine Cholinium bitartrate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
54	174 3079 43335 55492	Water Caffeine Cholinium dihydrogencitrate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details

Quinary Mixtures

No.	DDB#s	Components	Data Sets	Data Points	Details?
1	11 174 3079 4962 13803	Ethanol Water Caffeine Potassium carbonate Choline chloride	1	1	Details
2	11 174 3079 6357 13803	Ethanol Water Caffeine Sodium dihydrogen phosphate Choline chloride	1	1	Details
3	11 174 3079 6371 13803	Ethanol Water Caffeine Potassium phosphate Choline chloride	1	1	Details
4	11 174 3079 11385 13803	Ethanol Water Caffeine Dipotassium hydrogen phosphate Choline chloride	1	1	Details
5	11 174 3079 13803 18212	Ethanol Water Caffeine Choline chloride Potassium citrate	1	1	Details
6	11 174 3079 16994 18212	Ethanol Water Caffeine Tetrabutylammonium chloride Potassium citrate	1	5	Details
7	140 174 3079 16994 18212	1-Propanol Water Caffeine Tetrabutylammonium chloride Potassium citrate	1	5	Details
8	174 3079 12706 13803 18877	Water Caffeine D-Glucose Choline chloride Polypropylene glycol 400	1	9	Details

Other Mixtures

No.	DDB#s	Components	Data Sets	Data Points	Details?
1	11 174 3079 4296 16994 18212	Ethanol Water Caffeine Citric acid Tetrabutylammonium chloride Potassium citrate	1	5	Details
2	140 174 3079 4296 16994 18212	1-Propanol Water Caffeine Citric acid Tetrabutylammonium chloride Potassium citrate	1	5	Details
3	148 174 3079 4972 6308 44482	Sulfuric acid Water Caffeine Lithium sulfate Sodium hydroxide Polyethylene glycol 1500	3	15	Details
4	148 174 3079 4972 6308 55492	Sulfuric acid Water Caffeine Lithium sulfate Sodium hydroxide poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	5	Details
5	148 174 3079 6308 6311 55492	Sulfuric acid Water Caffeine Sodium hydroxide Sodium sulfate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	5	Details
6	174 3079 4962 13803 1005807 3000002	Water Caffeine Potassium carbonate Choline chloride Potassium (+) Cation poly(ethylene glycol)	1	1	Details
7	174 3079 6357 13803 1005806 1006440 1007586 1007587 3000002	Water Caffeine Sodium dihydrogen phosphate Choline chloride Sodium (+) Cation Phosphate (3-) anion Hydrogenphosphat anion (2-) Dihydrogenphosphate anion (1-) poly(ethylene glycol)	1	1	Details
8	174 3079 6371 13803 1005807 1006440 1007586 1007587 3000002	Water Caffeine Potassium phosphate Choline chloride Potassium (+) Cation Phosphate (3-) anion Hydrogenphosphat anion (2-) Dihydrogenphosphate anion (1-) poly(ethylene glycol)	1	1	Details
9	174 3079 11385 13803 1005807 1006440 1007586 1007587 3000002	Water Caffeine Dipotassium hydrogen phosphate Choline chloride Potassium (+) Cation Phosphate (3-) anion Hydrogenphosphat anion (2-) Dihydrogenphosphate anion (1-) poly(ethylene glycol)	1	1	Details
10	174 3079 13803 18212 1005807 3000002	Water Caffeine Choline chloride Potassium citrate Potassium (+) Cation poly(ethylene glycol)	1	1	Details

Dortmund Data Bank Version: February 2024

What are "Sets" and "Points" in the Dortmund Data Bank?	© Dortmund Data Bank by DDBST GmbH
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