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

(+-)-3-hydroxybutyric acid, heptafluorobutyrate

InChI
InChI=1S/C8H7F7O4/c1-3(2-4(16)17)19-5(18)6(9,10)7(11,12)8(13,14)15/h3H,2H2,1H3,(H,16,17)
InChI Key
BTCLXOUNCZJBIF-UHFFFAOYSA-N
Formula
C8H7F7O4
SMILES
CC(CC(=O)O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
300.13
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Physical Properties

Property Value Unit Source
ΔfusH° 26.78 kJ/mol Joback Calculated Property
logPoct/wat 2.226 Crippen Calculated Property
McVol 150.850 ml/mol McGowan Calculated Property
Inp [1063.00; 1063.00]   Show Hide
Inp 1063.00 NIST
Inp 1063.00 NIST
Tboil 441.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [417.20; 465.08] J/mol×K [571.13; 738.37] Show Hide
Cp,gas 417.20 J/mol×K 571.13 Joback Calculated Property
Cp,gas 426.86 J/mol×K 599.00 Joback Calculated Property
Cp,gas 435.80 J/mol×K 626.88 Joback Calculated Property
Cp,gas 444.05 J/mol×K 654.75 Joback Calculated Property
Cp,gas 451.65 J/mol×K 682.62 Joback Calculated Property
Cp,gas 458.65 J/mol×K 710.50 Joback Calculated Property
Cp,gas 465.08 J/mol×K 738.37 Joback Calculated Property

Similar Compounds

(+-)-3-hydroxybutyric acid, pentafluoropropionate. (+-)-3-hydroxybutyric acid, trifluoroacetate. Heptafluorobutyric acid, 2-pentyl ester. (S)-(-)-1,2,4-Butanetriol, 2,4-di(heptafluorobutyrate). 3-Hexanol, heptafluorobutyrate. (+-)-3-hydroxybutyric acid, acetate. Pentadecafluorooctanoic acid, pent-2-yl ester. 2-Octanol, heptafluorobutyrate. 2-Decanol, heptafluorobutyrate. Pentadecafluorooctanoic acid, 3-methylbut-2-yl ester. 3-Heptanol, heptafluorobutyrate. 2-Hydroxyisocaproic acid, heptafluorobutyrate. (S)-(-)-1,2,4-Butanetriol, 4-heptafluorobutyrate. Pentadecafluorooctanoic acid, dec-2-yl ester. Pentadecafluorooctanoic acid, 4-methyl-2-pentyl ester.

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

Sources

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