Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, octyl ester

Sarcosine, N-(2,3,4-trifluorobenzoyl)-, octyl ester

InChI
InChI=1S/C18H24F3NO3/c1-3-4-5-6-7-8-11-25-15(23)12-22(2)18(24)13-9-10-14(19)17(21)16(13)20/h9-10H,3-8,11-12H2,1-2H3
InChI Key
IMNLZVLCBITGER-UHFFFAOYSA-N
Formula
C18H24F3NO3
SMILES
CCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F
Molecular Weight1
359.39
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Physical Properties

Property Value Unit Source
ΔfusH° 53.48 kJ/mol Joback Calculated Property
ΔvapH° 96.68 kJ/mol Relay (1.0) Calculated Property
log10WS -5.51 Relay (1.0) Calculated Property
logPoct/wat 4.080 Crippen Calculated Property
McVol 265.020 ml/mol McGowan Calculated Property
Pc 1342.74 kPa Joback Calculated Property
Inp [2292.00; 2292.00]   Show Hide
Inp 2292.00 NIST
Inp 2292.00 NIST
Tboil 617.72 K Relay (1.0) Calculated Property
Tfus 301.43 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 [395.09; 876.69] 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 A3.58680e+01
Coefficient B1.53294e+00
Coefficient C-8.33980e-04
Coefficient D1.41860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 395.09 J/mol×K 273.00 Calculated Property
Cp,gas 480.09 J/mol×K 353.78 Calculated Property
Cp,gas 556.17 J/mol×K 434.56 Calculated Property
Cp,gas 623.78 J/mol×K 515.33 Calculated Property
Cp,gas 683.37 J/mol×K 596.11 Calculated Property
Cp,gas 735.38 J/mol×K 676.89 Calculated Property
Cp,gas 780.27 J/mol×K 757.67 Calculated Property
Cp,gas 818.49 J/mol×K 838.44 Calculated Property
Cp,gas 850.48 J/mol×K 919.22 Calculated Property
Cp,gas 876.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, nonyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, heptadecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, heptyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. Sarcosine, N-(2-fluorobenzoyl)-, octyl ester. Sarcosine, N-(2-fluorobenzoyl)-, pentadecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, undecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, tetradecyl ester.

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, octyl ester.

Sources

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