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

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

InChI
InChI=1S/C30H49F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-30(35)25(2)33-29(34)27-24-26(31)21-22-28(27)32/h21-22,24-25H,3-20,23H2,1-2H3,(H,33,34)
InChI Key
VIBJOAHWKGKOQL-UHFFFAOYSA-N
Formula
C30H49F2NO3
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
509.72
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Physical Properties

Property Value Unit Source
ΔfusH° 80.42 kJ/mol Joback Calculated Property
log10WS -8.75 Relay (1.0) Calculated Property
logPoct/wat 8.668 Crippen Calculated Property
McVol 432.330 ml/mol McGowan Calculated Property
Pc 693.25 kPa Joback Calculated Property
Inp [3532.00; 3532.00]   Show Hide
Inp 3532.00 NIST
Inp 3532.00 NIST
Tboil 695.64 K Relay (1.0) Calculated Property
Tfus 362.19 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 [639.27; 1491.15] 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 A1.23690e+01
Coefficient B2.67884e+00
Coefficient C-1.47662e-03
Coefficient D2.76560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 639.27 J/mol×K 273.00 Calculated Property
Cp,gas 787.52 J/mol×K 353.78 Calculated Property
Cp,gas 920.33 J/mol×K 434.56 Calculated Property
Cp,gas 1038.57 J/mol×K 515.33 Calculated Property
Cp,gas 1143.12 J/mol×K 596.11 Calculated Property
Cp,gas 1234.86 J/mol×K 676.89 Calculated Property
Cp,gas 1314.66 J/mol×K 757.67 Calculated Property
Cp,gas 1383.39 J/mol×K 838.44 Calculated Property
Cp,gas 1441.93 J/mol×K 919.22 Calculated Property
Cp,gas 1491.15 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)-, pentadecyl 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)-, eicosyl ester.

Sources

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