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

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

InChI
InChI=1S/C22H33F2NO3/c1-3-4-5-6-7-8-9-10-11-12-16-28-20(26)17-25(2)22(27)21-18(23)14-13-15-19(21)24/h13-15H,3-12,16-17H2,1-2H3
InChI Key
ZYFRCLRVJYQWJP-UHFFFAOYSA-N
Formula
C22H33F2NO3
SMILES
CCCCCCCCCCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F
Molecular Weight1
397.50
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Physical Properties

Property Value Unit Source
ΔfusH° 61.15 kJ/mol Joback Calculated Property
ΔvapH° 112.97 kJ/mol Relay (1.0) Calculated Property
log10WS -6.35 Relay (1.0) Calculated Property
logPoct/wat 5.501 Crippen Calculated Property
McVol 319.610 ml/mol McGowan Calculated Property
Pc 1072.87 kPa Joback Calculated Property
Inp 2855.00 NIST
Tboil 645.14 K Relay (1.0) Calculated Property
Tfus 322.68 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 [469.20; 1079.02] 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 A1.18420e+01
Coefficient B1.96064e+00
Coefficient C-1.10222e-03
Coefficient D2.08760e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 469.20 J/mol×K 273.00 Calculated Property
Cp,gas 576.76 J/mol×K 353.78 Calculated Property
Cp,gas 672.84 J/mol×K 434.56 Calculated Property
Cp,gas 758.08 J/mol×K 515.33 Calculated Property
Cp,gas 833.15 J/mol×K 596.11 Calculated Property
Cp,gas 898.71 J/mol×K 676.89 Calculated Property
Cp,gas 955.41 J/mol×K 757.67 Calculated Property
Cp,gas 1003.93 J/mol×K 838.44 Calculated Property
Cp,gas 1044.91 J/mol×K 919.22 Calculated Property
Cp,gas 1079.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

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)-, hexadecyl 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)-, dodeyl ester.

Sources

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