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Dortmund Data Bank
Thermophysical Data for Process Design
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DDB#	Name	CAS-RN	Formula
3079	Caffeine	58-08-2	C₈H₁₀N₄O₂	Details

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Pure Component Properties Search Result Overview

DDB#	Component	Data Sets	Data Points	Details?
3079	Caffeine	86	369	Details

Mixture Properties Search Result Overview

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135 systems with 271 data set/s and 1814 data point/s found What are "Sets" and "Points" in the Dortmund Data Bank?

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

Binary Mixtures

No.	DDB#s	Components	Data Sets	Data Points	Details?
1	8 3079	1,2-Ethanediol Caffeine	2	6	Details
2	11 3079	Ethanol Caffeine	2	10	Details
3	95 3079	2-Propanol Caffeine	1	5	Details
4	140 3079	1-Propanol Caffeine	1	5	Details
5	151 3079	Dimethyl sulfoxide Caffeine	1	1	Details
6	174 3079	Water Caffeine	23	305	Details
7	273 3079	2-Ethoxyethanol Caffeine	1	1	Details
8	282 3079	1,2-Propanediol Caffeine	2	6	Details
9	284 3079	N-Methyl-2-pyrrolidone Caffeine	1	5	Details
10	456 3079	Diethylene glycol ethyl ether Caffeine	1	5	Details
11	3079 17172	Caffeine Polyethylene glycol 400	1	1	Details
12	3079 17738	Caffeine Polyethylene glycol 250 dimethylether	1	5	Details

Ternary Mixtures

No.	DDB#s	Components	Data Sets	Data Points	Details?
1	8 174 3079	1,2-Ethanediol Water Caffeine	1	10	Details
2	8 284 3079	1,2-Ethanediol N-Methyl-2-pyrrolidone Caffeine	5	55	Details
3	8 3079 13803	1,2-Ethanediol Caffeine Choline chloride	1	1	Details
4	11 284 3079	Ethanol N-Methyl-2-pyrrolidone Caffeine	5	55	Details
5	11 456 3079	Ethanol Diethylene glycol ethyl ether Caffeine	5	55	Details
6	75 174 3079	1,4-Dioxane Water Caffeine	1	16	Details
7	95 284 3079	2-Propanol N-Methyl-2-pyrrolidone Caffeine	5	55	Details
8	140 284 3079	1-Propanol N-Methyl-2-pyrrolidone Caffeine	5	55	Details
9	174 282 3079	Water 1,2-Propanediol Caffeine	1	10	Details
10	174 925 3079	Water Anthracene Caffeine	1	4	Details
11	174 927 3079	Water Phenanthrene Caffeine	1	4	Details
12	174 1183 3079	Water Fluoranthene Caffeine	1	4	Details
13	174 1594 3079	Water Pyrene Caffeine	1	4	Details
14	174 1595 3079	Water Chrysene Caffeine	1	4	Details
15	174 1596 3079	Water Benz[a]anthracene Caffeine	1	4	Details
16	174 1597 3079	Water Naphthacene Caffeine	1	4	Details
17	174 1598 3079	Water Triphenylene Caffeine	1	4	Details
18	174 1602 3079	Water Benzo[a]pyrene Caffeine	3	22	Details
19	174 1603 3079	Water Coronene Caffeine	2	7	Details
20	174 2542 3079	Water Perylene Caffeine	1	4	Details
21	174 2545 3079	Water 7,12-Dimethylbenz(a)anthracene Caffeine	1	4	Details
22	174 2546 3079	Water 20-Methylcholanthrene Caffeine	1	4	Details
23	174 2615 3079	Water trans-Cinnamic acid Caffeine	1	1	Details
24	174 3079 3729	Water Caffeine Glycine	2	25	Details
25	174 3079 3983	Water Caffeine Cytosine	8	28	Details
26	174 3079 3984	Water Caffeine Uracil	8	24	Details
27	174 3079 3985	Water Caffeine Thymine	8	28	Details
28	174 3079 4673	Water Caffeine 4-Aminobenzoic acid	1	26	Details
29	174 3079 4711	Water Caffeine Glycylglycine	2	19	Details
30	174 3079 4911	Water Caffeine Sodium chloride	20	160	Details
31	174 3079 5389	Water Caffeine 5,5-Diethylbarbituric acid	2	26	Details
32	174 3079 5390	Water Caffeine 5-Ethyl-5-phenylbarbituric acid	2	30	Details
33	174 3079 5394	Water Caffeine Hydrochlorothiazide	1	5	Details
34	174 3079 5872	Water Caffeine 2-[4'-Aminobenzensulfonamio]-thiazol	1	22	Details
35	174 3079 6441	Water Caffeine Benzocaine	1	20	Details
36	174 3079 9996	Water Caffeine L-Alanyl-L-alanine	2	23	Details
37	174 3079 10001	Water Caffeine Triglycine	2	21	Details
38	174 3079 10666	Water Caffeine Picene	1	3	Details
39	174 3079 13803	Water Caffeine Choline chloride	1	8	Details
40	174 3079 16456	Water Caffeine Sulfadiazine	1	15	Details
41	174 3079 17172	Water Caffeine Polyethylene glycol 400	1	5	Details
42	174 3079 17248	Water Caffeine Xylitol	1	5	Details
43	174 3079 17738	Water Caffeine Polyethylene glycol 250 dimethylether	5	58	Details
44	174 3079 18477	Water Caffeine Sodium salicylate	1	20	Details
45	174 3079 20044	Water Caffeine Thymidine	8	28	Details
46	174 3079 20674	Water Caffeine Cytidine	8	28	Details
47	174 3079 20675	Water Caffeine Uridine	8	28	Details
48	174 3079 25771	Water Caffeine (2-Naphthalenyloxy)acetic acid	3	39	Details
49	174 3079 39248	Water Caffeine Methyl leucinium bis(trifluoromethylsulfonyl) imide	1	1	Details
50	174 3079 39249	Water Caffeine Ethyl leucinium bis(trifluoromethylsulfonyl) imide	1	1	Details
51	174 3079 39250	Water Caffeine Methyl phenylalaninium bis(trifluoromethylsulfonyl)imide	1	1	Details
52	174 3079 39251	Water Caffeine Ethyl phenylalaninium bis(trifluoromethylsulfonyl)imide	1	1	Details
53	174 3079 39252	Water Caffeine Benzyl glycinium bis(trifluoromethylsulfonyl) imide	1	1	Details
54	174 3079 39253	Water Caffeine Methyl α-Phenylglycinium bis(trifluoromethylsulfonyl)imide	1	1	Details
55	174 3079 40782	Water Caffeine 6-Chloro-1,1-dioxo-4H-benzo[e][1,2, 4]thiadiazine-7-sulfonamide	1	5	Details
56	174 3079 44385	Water Caffeine 6-Trifluoromethyl-3-benzyl-3,4-dihydro-1,2,4- benzothiadiazine-7-sulfonamide 1,1-dioxide	1	5	Details
57	282 284 3079	1,2-Propanediol N-Methyl-2-pyrrolidone Caffeine	5	55	Details
58	282 3079 13803	1,2-Propanediol Caffeine Choline chloride	1	1	Details
59	3079 13803 17248	Caffeine Choline chloride Xylitol	1	1	Details
60	3079 17480 22903	Caffeine Piroxicam Indomethacin	2	4	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	8 174 3079 13803	1,2-Ethanediol Water Caffeine Choline chloride	2	20	Details
10	11 174 3079 4962	Ethanol Water Caffeine Potassium carbonate	1	1	Details
11	11 174 3079 6357	Ethanol Water Caffeine Sodium dihydrogen phosphate	1	1	Details
12	11 174 3079 6371	Ethanol Water Caffeine Potassium phosphate	1	1	Details
13	11 174 3079 11385	Ethanol Water Caffeine Dipotassium hydrogen phosphate	1	1	Details
14	11 174 3079 18212	Ethanol Water Caffeine Potassium citrate	1	1	Details
15	84 174 514 3079	Acetic acid Water Menthol Caffeine	1	1	Details
16	146 174 3079 4117	Hydrogen chloride Water Caffeine 2-Iodobenzoic acid	1	17	Details
17	146 174 3079 4778	Hydrogen chloride Water Caffeine 4-Iodobenzoic acid	1	16	Details
18	146 174 3079 5596	Hydrogen chloride Water Caffeine 3-Iodobenzoic acid	1	18	Details
19	146 174 3079 5959	Hydrogen chloride Water Caffeine 2-Fluorobenzoic acid	1	22	Details
20	146 174 3079 6148	Hydrogen chloride Water Caffeine 4-Fluorobenzoic acid	1	15	Details
21	146 174 3079 6748	Hydrogen chloride Water Caffeine 3-Fluorobenzoic acid	1	23	Details
22	174 282 3079 13803	Water 1,2-Propanediol Caffeine Choline chloride	2	19	Details
23	174 346 514 3079	Water Lauric acid Menthol Caffeine	1	1	Details
24	174 514 653 3079	Water Menthol Lactic acid Caffeine	1	1	Details
25	174 514 2258 3079	Water Menthol Pyruvic acid Caffeine	1	1	Details
26	174 3079 3347 18877	Water Caffeine D-(+)-Saccharose Polypropylene glycol 400	1	5	Details
27	174 3079 4792 17173	Water Caffeine Sodium nitrate 1-Butyl-3-methylimidazolium tetrafluoroborate	1	4	Details
28	174 3079 4792 44482	Water Caffeine Sodium nitrate Polyethylene glycol 1500	2	8	Details
29	174 3079 4962 3000002	Water Caffeine Potassium carbonate poly(ethylene glycol)	1	1	Details
30	174 3079 6311 17173	Water Caffeine Sodium sulfate 1-Butyl-3-methylimidazolium tetrafluoroborate	1	4	Details
31	174 3079 6357 3000002	Water Caffeine Sodium dihydrogen phosphate poly(ethylene glycol)	1	1	Details
32	174 3079 6371 3000002	Water Caffeine Potassium phosphate poly(ethylene glycol)	1	1	Details
33	174 3079 8180 19643	Water Caffeine D-Sorbitol Tetrabutylphosphonium bromide	5	20	Details
34	174 3079 11385 3000002	Water Caffeine Dipotassium hydrogen phosphate poly(ethylene glycol)	1	1	Details
35	174 3079 12706 18877	Water Caffeine D-Glucose Polypropylene glycol 400	1	5	Details
36	174 3079 13803 17248	Water Caffeine Choline chloride Xylitol	2	12	Details
37	174 3079 13803 55492	Water Caffeine Choline chloride poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
38	174 3079 18212 3000002	Water Caffeine Potassium citrate poly(ethylene glycol)	1	1	Details
39	174 3079 24081 55492	Water Caffeine Choline lactate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
40	174 3079 34159 55492	Water Caffeine Choline propanoate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
41	174 3079 34562 55492	Water Caffeine Choline acetate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
42	174 3079 34563 55492	Water Caffeine Choline butanoate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
43	174 3079 43333 55492	Water Caffeine Cholinium dihydrogenphosphate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
44	174 3079 43334 55492	Water Caffeine Cholinium bitartrate poly(ethylene oxide)-b-poly(propylene oxide)-b- poly(ethylene oxide) triblock copolymer	1	1	Details
45	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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