Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester

D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester

InChI
InChI=1S/C18H25F2NO3/c1-3-4-5-6-7-8-11-24-18(23)13(2)21-17(22)14-9-10-15(19)16(20)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,21,22)
InChI Key
OSXWZAJWZWIYAP-UHFFFAOYSA-N
Formula
C18H25F2NO3
SMILES
CCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
341.40
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Physical Properties

Property Value Unit Source
ΔfusH° 49.34 kJ/mol Joback Calculated Property
log10WS -5.39 Relay (1.0) Calculated Property
logPoct/wat 3.987 Crippen Calculated Property
McVol 263.250 ml/mol McGowan Calculated Property
Pc 1428.30 kPa Joback Calculated Property
Inp [2337.00; 2337.00]   Show Hide
Inp 2337.00 NIST
Inp 2337.00 NIST
Tboil 611.67 K Relay (1.0) Calculated Property
Tfus 327.57 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 [384.70; 872.06] 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 A2.32770e+01
Coefficient B1.53884e+00
Coefficient C-8.23820e-04
Coefficient D1.33760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 384.70 J/mol×K 273.00 Calculated Property
Cp,gas 470.50 J/mol×K 353.78 Calculated Property
Cp,gas 547.40 J/mol×K 434.56 Calculated Property
Cp,gas 615.82 J/mol×K 515.33 Calculated Property
Cp,gas 676.19 J/mol×K 596.11 Calculated Property
Cp,gas 728.93 J/mol×K 676.89 Calculated Property
Cp,gas 774.46 J/mol×K 757.67 Calculated Property
Cp,gas 813.21 J/mol×K 838.44 Calculated Property
Cp,gas 845.60 J/mol×K 919.22 Calculated Property
Cp,gas 872.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, nonyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, butyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester.

Sources

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