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

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

InChI
InChI=1S/C17H22F3NO3/c1-3-4-5-6-7-10-24-14(22)11-21(2)17(23)12-8-9-13(18)16(20)15(12)19/h8-9H,3-7,10-11H2,1-2H3
InChI Key
LWLPJUOBCRLQGF-UHFFFAOYSA-N
Formula
C17H22F3NO3
SMILES
CCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F
Molecular Weight1
345.36
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Physical Properties

Property Value Unit Source
ΔfusH° 50.89 kJ/mol Joback Calculated Property
ΔvapH° 93.16 kJ/mol Relay (1.0) Calculated Property
log10WS -5.16 Relay (1.0) Calculated Property
logPoct/wat 3.690 Crippen Calculated Property
McVol 250.930 ml/mol McGowan Calculated Property
Pc 1442.44 kPa Joback Calculated Property
Inp [2186.00; 2186.00]   Show Hide
Inp 2186.00 NIST
Inp 2186.00 NIST
Tboil 609.32 K Relay (1.0) Calculated Property
Tfus 298.24 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 [373.88; 825.10] 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 A3.67770e+01
Coefficient B1.43794e+00
Coefficient C-7.79580e-04
Coefficient D1.29960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 373.88 J/mol×K 273.00 Calculated Property
Cp,gas 453.67 J/mol×K 353.78 Calculated Property
Cp,gas 525.09 J/mol×K 434.56 Calculated Property
Cp,gas 588.55 J/mol×K 515.33 Calculated Property
Cp,gas 644.46 J/mol×K 596.11 Calculated Property
Cp,gas 693.22 J/mol×K 676.89 Calculated Property
Cp,gas 735.26 J/mol×K 757.67 Calculated Property
Cp,gas 770.97 J/mol×K 838.44 Calculated Property
Cp,gas 800.78 J/mol×K 919.22 Calculated Property
Cp,gas 825.10 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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