Chemical Properties of Sarcosine, N-(4-trifluoromethylbenzoyl)-, isohexyl ester

Sarcosine, N-(4-trifluoromethylbenzoyl)-, isohexyl ester

InChI
InChI=1S/C17H22F3NO3/c1-12(2)5-4-10-24-15(22)11-21(3)16(23)13-6-8-14(9-7-13)17(18,19)20/h6-9,12H,4-5,10-11H2,1-3H3
InChI Key
NWJAVIONMBHMBD-UHFFFAOYSA-N
Formula
C17H22F3NO3
SMILES
CC(C)CCCOC(=O)CN(C)C(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
345.36
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Physical Properties

Property Value Unit Source
ΔfusH° 40.73 kJ/mol Joback Calculated Property
logPoct/wat 3.757 Crippen Calculated Property
McVol 250.930 ml/mol McGowan Calculated Property
Inp 2053.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 [367.00; 833.18] 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 A-1.79760e+01
Coefficient B1.68866e+00
Coefficient C-1.08866e-03
Coefficient D2.51160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 367.00 J/mol×K 273.00 Calculated Property
Cp,gas 454.30 J/mol×K 353.78 Calculated Property
Cp,gas 530.87 J/mol×K 434.56 Calculated Property
Cp,gas 597.51 J/mol×K 515.33 Calculated Property
Cp,gas 655.00 J/mol×K 596.11 Calculated Property
Cp,gas 704.15 J/mol×K 676.89 Calculated Property
Cp,gas 745.75 J/mol×K 757.67 Calculated Property
Cp,gas 780.59 J/mol×K 838.44 Calculated Property
Cp,gas 809.47 J/mol×K 919.22 Calculated Property
Cp,gas 833.18 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, octyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, nonyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, decyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, dodecyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, heptadecyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, tetradecyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, undecyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, pentadecyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, hexadecyl ester. Sarcosine, N-(4-trifluoromethylbenzoyl)-, pentyl ester. Sarcosine, n-(4-methylbenzoyl)-, isohexyl ester. Sarcosine, N-(4-bromobenzoyl)-, isohexyl ester. Sarcosine, N-(2-trifluoromethylbenzoyl)-, isohexyl ester. Sarcosine, n-(4-fluorobenzoyl)-, isohexyl ester.

Find more compounds similar to Sarcosine, N-(4-trifluoromethylbenzoyl)-, isohexyl ester.

Sources

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