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

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

InChI
InChI=1S/C21H30F3NO3/c1-3-4-5-6-7-8-9-10-11-14-28-18(26)15-25(2)21(27)16-12-13-17(22)20(24)19(16)23/h12-13H,3-11,14-15H2,1-2H3
InChI Key
HZYDPMLZRNECLO-UHFFFAOYSA-N
Formula
C21H30F3NO3
SMILES
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F
Molecular Weight1
401.46
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Physical Properties

Property Value Unit Source
ΔfusH° 61.25 kJ/mol Joback Calculated Property
ΔvapH° 109.17 kJ/mol Relay (1.0) Calculated Property
log10WS -6.45 Relay (1.0) Calculated Property
logPoct/wat 5.250 Crippen Calculated Property
McVol 307.290 ml/mol McGowan Calculated Property
Pc 1098.62 kPa Joback Calculated Property
Inp [2596.00; 2596.00]   Show Hide
Inp 2596.00 NIST
Inp 2596.00 NIST
Tboil 641.64 K Relay (1.0) Calculated Property
Tfus 311.07 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 [458.73; 1031.46] 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 A3.31410e+01
Coefficient B1.81794e+00
Coefficient C-9.97180e-04
Coefficient D1.77560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 458.73 J/mol×K 273.00 Calculated Property
Cp,gas 559.34 J/mol×K 353.78 Calculated Property
Cp,gas 649.40 J/mol×K 434.56 Calculated Property
Cp,gas 729.47 J/mol×K 515.33 Calculated Property
Cp,gas 800.10 J/mol×K 596.11 Calculated Property
Cp,gas 861.87 J/mol×K 676.89 Calculated Property
Cp,gas 915.32 J/mol×K 757.67 Calculated Property
Cp,gas 961.03 J/mol×K 838.44 Calculated Property
Cp,gas 999.56 J/mol×K 919.22 Calculated Property
Cp,gas 1031.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, decyl 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)-, undecyl ester.

Sources

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