Chemical Properties of D-Alanine, N-(2,5-difluorobenzoyl)-, pentadecyl ester

D-Alanine, N-(2,5-difluorobenzoyl)-, pentadecyl ester

InChI
InChI=1S/C25H39F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31-25(30)20(2)28-24(29)22-19-21(26)16-17-23(22)27/h16-17,19-20H,3-15,18H2,1-2H3,(H,28,29)
InChI Key
NXCBUWSKEOEYCR-UHFFFAOYSA-N
Formula
C25H39F2NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
439.58
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Physical Properties

Property Value Unit Source
ΔfusH° 67.47 kJ/mol Joback Calculated Property
log10WS -7.37 Relay (1.0) Calculated Property
logPoct/wat 6.718 Crippen Calculated Property
McVol 361.880 ml/mol McGowan Calculated Property
Pc 908.34 kPa Joback Calculated Property
Inp [3016.00; 3016.00]   Show Hide
Inp 3016.00 NIST
Inp 3016.00 NIST
Tboil 662.26 K Relay (1.0) Calculated Property
Tfus 354.67 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [533.20; 1233.19] 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 A1.69140e+01
Coefficient B2.20384e+00
Coefficient C-1.20462e-03
Coefficient D2.17060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 533.20 J/mol×K 273.00 Calculated Property
Cp,gas 655.43 J/mol×K 353.78 Calculated Property
Cp,gas 764.94 J/mol×K 434.56 Calculated Property
Cp,gas 862.42 J/mol×K 515.33 Calculated Property
Cp,gas 948.57 J/mol×K 596.11 Calculated Property
Cp,gas 1024.06 J/mol×K 676.89 Calculated Property
Cp,gas 1089.58 J/mol×K 757.67 Calculated Property
Cp,gas 1145.82 J/mol×K 838.44 Calculated Property
Cp,gas 1193.46 J/mol×K 919.22 Calculated Property
Cp,gas 1233.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(2,5-difluorobenzoyl)-, pentadecyl ester.

Sources

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