Chemical Properties of L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester

InChI
InChI=1S/C29H47ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-29(34)27(23(2)3)32-28(33)24-20-19-21-25(30)26(24)31/h19-21,23,27H,4-18,22H2,1-3H3,(H,32,33)
InChI Key
BGUNZGXMCCLXBJ-UHFFFAOYSA-N
Formula
C29H47ClFNO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C
Molecular Weight1
512.15
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Physical Properties

Property Value Unit Source
ΔfusH° 75.43 kJ/mol Joback Calculated Property
log10WS -8.73 Relay (1.0) Calculated Property
logPoct/wat 8.648 Crippen Calculated Property
McVol 428.710 ml/mol McGowan Calculated Property
Pc 736.02 kPa Joback Calculated Property
Inp [3571.00; 3571.00]   Show Hide
Inp 3571.00 NIST
Inp 3571.00 NIST
Tboil 692.27 K Relay (1.0) Calculated Property
Tfus 368.55 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [1487.27; 1562.96] J/mol×K [1097.84; 1360.62] Show Hide
Cp,gas 1487.27 J/mol×K 1097.84 Joback Calculated Property
Cp,gas 1504.35 J/mol×K 1141.64 Joback Calculated Property
Cp,gas 1519.47 J/mol×K 1185.43 Joback Calculated Property
Cp,gas 1532.76 J/mol×K 1229.23 Joback Calculated Property
Cp,gas 1544.34 J/mol×K 1273.03 Joback Calculated Property
Cp,gas 1554.37 J/mol×K 1316.83 Joback Calculated Property
Cp,gas 1562.96 J/mol×K 1360.62 Joback Calculated Property

Similar Compounds

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester.

Sources

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