Chemical Properties of (+-)-3-hydroxybutyric acid, trifluoroacetate

(+-)-3-hydroxybutyric acid, trifluoroacetate

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InChI
InChI=1S/C6H7F3O4/c1-3(2-4(10)11)13-5(12)6(7,8)9/h3H,2H2,1H3,(H,10,11)
InChI Key
VOYYDTLQLYVTGM-UHFFFAOYSA-N
Formula
C6H7F3O4
SMILES
CC(CC(=O)O)OC(=O)C(F)(F)F
Molecular Weight1
200.11
Sources

Physical Properties

Property Value Unit Source
Δf -1084.05 kJ/mol Joback Calculated Property
Δfgas -1279.14 kJ/mol Joback Calculated Property
Δfus 18.07 kJ/mol Joback Calculated Property
Δvap 57.40 kJ/mol Joback Calculated Property
logPoct/wat 0.96 Crippen Calculated Property
Pc 3456.14 kPa Joback Calculated Property
Tboil 553.16 K Joback Calculated Property
Tc 722.48 K Joback Calculated Property
Tfus 329.48 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 287.13 J/mol×K 553.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 3
-OH (alcohol) 1
-CH2- 1
>C< 1
-CH3 1
>C=O (nonring) 2

Similar Compounds

3-Hexyltrifluoroacetate. (+-)-3-hydroxybutyric acid, acetate. 2-Hexanol, trifluoroacetate. Acetic acid, trifluoro-, cyclopentyl ester. 4-Penten-2-ol, trifluoroacetate. (S)-(-)-1,2,4-Butanetriol, 2,4-di(trifluoroacetate). 2-Decanol, trifluoroacetate. 2,4-Dimethyl-3-pentanol, trifluoroacetate. Acetic acid, trifluoro-, 1,2-dimethylbutyl ester, (R*,S*)-(+/-)-. Cyclohexyl trifluoroacetate. 1,6-Heptadien-4-ol, trifluoroacetate. Cycloheptanol, trifluoroacetate. methyl 3-acetoxybutanoate. 1,5-Hexadien-3-ol, trifluoroacetate. Ethyl 3-acetoxybutyrate.

Find more compounds similar to (+-)-3-hydroxybutyric acid, trifluoroacetate.

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