Chemical Properties of «alpha»-Hydroxycerotic acid, HFB-Me

«alpha»-Hydroxycerotic acid, HFB-Me

InChI
InChI=1S/C31H53F7O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(39)41-2)42-28(40)29(32,33)30(34,35)31(36,37)38/h26H,3-25H2,1-2H3
InChI Key
FBBMARXQNWWHNY-UHFFFAOYSA-N
Formula
C31H53F7O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC
Molecular Weight1
622.74
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Physical Properties

Property Value Unit Source
ΔfusH° 80.58 kJ/mol Joback Calculated Property
logPoct/wat 10.896 Crippen Calculated Property
McVol 474.920 ml/mol McGowan Calculated Property
Inp [2946.00; 2946.00]   Show Hide
Inp 2946.00 NIST
Inp 2946.00 NIST
Tboil 658.97 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [748.48; 1689.30] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-6.93700e+00
Coefficient B3.30514e+00
Coefficient C-2.10680e-03
Coefficient D4.97900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 748.48 J/mol×K 273.00 Calculated Property
Cp,gas 920.71 J/mol×K 353.78 Calculated Property
Cp,gas 1072.34 J/mol×K 434.56 Calculated Property
Cp,gas 1204.95 J/mol×K 515.33 Calculated Property
Cp,gas 1320.11 J/mol×K 596.11 Calculated Property
Cp,gas 1419.40 J/mol×K 676.89 Calculated Property
Cp,gas 1504.39 J/mol×K 757.67 Calculated Property
Cp,gas 1576.65 J/mol×K 838.44 Calculated Property
Cp,gas 1637.77 J/mol×K 919.22 Calculated Property
Cp,gas 1689.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

.alpha.-Hydroxybehenic acid, HFB-Me. «alpha»-Hydroxyarachidic acid, HFB-Me. «alpha»-Hydroxylignoceric acid, HFB-Me. «alpha»-Hydroxystearic acid, HFB-Me. «alpha»-Hydroxypentacosanoic acid, HFB-Me. «alpha»-Hydroxytricosanoic acid, HFB-Me. .alpha.-Hydroxynervonic acid, HFB-Me. (+-)-2-Hydroxyoctanoic acid, pentafluoropropionate. 2-Hydroxyisocaproic acid, heptafluorobutyrate. (+-)-2-Hydroxyoctanoic acid, trifluoroacetate. Pentadecafluorooctanoic acid, dec-2-yl ester. Glutaric acid, 1-(cyclohex-2-enyl)hex-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. 2-Hydroxyisocaproic acid, pentafluoropropionate. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-octyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-decyl ester.

Find more compounds similar to «alpha»-Hydroxycerotic acid, HFB-Me.

Sources

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