Chemical Properties of Sarcosine, N-(2,6-difluorobenzoyl)-, hexadecyl ester

Sarcosine, N-(2,6-difluorobenzoyl)-, hexadecyl ester

InChI
InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-24(30)21-29(2)26(31)25-22(27)18-17-19-23(25)28/h17-19H,3-16,20-21H2,1-2H3
InChI Key
IGEJERNJGSPWJH-UHFFFAOYSA-N
Formula
C26H41F2NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F
Molecular Weight1
453.61
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Physical Properties

Property Value Unit Source
ΔfusH° 71.51 kJ/mol Joback Calculated Property
ΔvapH° 128.67 kJ/mol Relay (1.0) Calculated Property
log10WS -7.45 Relay (1.0) Calculated Property
logPoct/wat 7.061 Crippen Calculated Property
McVol 375.970 ml/mol McGowan Calculated Property
Pc 846.53 kPa Joback Calculated Property
Tboil 672.42 K Relay (1.0) Calculated Property
Tfus 330.80 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [554.05; 1285.39] 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 A8.20600e+00
Coefficient B2.34064e+00
Coefficient C-1.31982e-03
Coefficient D2.56360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 554.05 J/mol×K 273.00 Calculated Property
Cp,gas 682.44 J/mol×K 353.78 Calculated Property
Cp,gas 797.15 J/mol×K 434.56 Calculated Property
Cp,gas 899.00 J/mol×K 515.33 Calculated Property
Cp,gas 988.80 J/mol×K 596.11 Calculated Property
Cp,gas 1067.35 J/mol×K 676.89 Calculated Property
Cp,gas 1135.48 J/mol×K 757.67 Calculated Property
Cp,gas 1193.99 J/mol×K 838.44 Calculated Property
Cp,gas 1243.69 J/mol×K 919.22 Calculated Property
Cp,gas 1285.39 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(2,6-difluorobenzoyl)-, dodeyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, nonyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, decyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, tetradecyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, octyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, undecyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, heptyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, hexyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, pentyl ester. Sarcosine, N-(2-fluorobenzoyl)-, undecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, tetradecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, octyl ester. Sarcosine, N-(2-fluorobenzoyl)-, decyl ester. Sarcosine, N-(2-fluorobenzoyl)-, pentadecyl ester.

Find more compounds similar to Sarcosine, N-(2,6-difluorobenzoyl)-, hexadecyl ester.

Sources

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