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

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

InChI
InChI=1S/C13H15F2NO3/c1-3-7-19-11(17)8-16(2)13(18)12-9(14)5-4-6-10(12)15/h4-6H,3,7-8H2,1-2H3
InChI Key
KWPIFXGJDORBCR-UHFFFAOYSA-N
Formula
C13H15F2NO3
SMILES
CCCOC(=O)CN(C)C(=O)c1c(F)cccc1F
Molecular Weight1
271.26
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Physical Properties

Property Value Unit Source
ΔfusH° 37.84 kJ/mol Joback Calculated Property
logPoct/wat 1.990 Crippen Calculated Property
McVol 192.800 ml/mol McGowan Calculated Property
Inp 1902.00 NIST
Tfus 308.63 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [278.27; 614.70] 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 A2.00230e+01
Coefficient B1.10564e+00
Coefficient C-6.12620e-04
Coefficient D1.01660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 278.27 J/mol×K 273.00 Calculated Property
Cp,gas 339.00 J/mol×K 353.78 Calculated Property
Cp,gas 393.14 J/mol×K 434.56 Calculated Property
Cp,gas 441.02 J/mol×K 515.33 Calculated Property
Cp,gas 482.95 J/mol×K 596.11 Calculated Property
Cp,gas 519.26 J/mol×K 676.89 Calculated Property
Cp,gas 550.27 J/mol×K 757.67 Calculated Property
Cp,gas 576.30 J/mol×K 838.44 Calculated Property
Cp,gas 597.67 J/mol×K 919.22 Calculated Property
Cp,gas 614.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, n-(2,6-difluorobenzoyl)-, butyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, ethyl ester. Sarcosine, N-(2-fluorobenzoyl)-, propyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, pentyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, hexyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, heptyl 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)-, tetradecyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, decyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, dodeyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, nonyl ester. Sarcosine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, butyl ester.

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

Sources

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