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

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

InChI
InChI=1S/C16H20F3NO3/c1-10(2)5-4-8-23-13(21)9-20(3)16(22)11-6-7-12(17)15(19)14(11)18/h6-7,10H,4-5,8-9H2,1-3H3
InChI Key
ZHIGJQSJWMSFAF-UHFFFAOYSA-N
Formula
C16H20F3NO3
SMILES
CC(C)CCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F
Molecular Weight1
331.33
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Physical Properties

Property Value Unit Source
ΔfusH° 44.78 kJ/mol Joback Calculated Property
log10WS -4.64 Relay (1.0) Calculated Property
logPoct/wat 3.155 Crippen Calculated Property
McVol 236.840 ml/mol McGowan Calculated Property
Inp [2049.00; 2049.00]   Show Hide
Inp 2049.00 NIST
Inp 2049.00 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [677.87; 750.19] J/mol×K [729.20; 914.15] Show Hide
Cp,gas 677.87 J/mol×K 729.20 Joback Calculated Property
Cp,gas 692.04 J/mol×K 760.03 Joback Calculated Property
Cp,gas 705.34 J/mol×K 790.85 Joback Calculated Property
Cp,gas 717.78 J/mol×K 821.68 Joback Calculated Property
Cp,gas 729.39 J/mol×K 852.50 Joback Calculated Property
Cp,gas 740.18 J/mol×K 883.33 Joback Calculated Property
Cp,gas 750.19 J/mol×K 914.15 Joback Calculated Property

Similar Compounds

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

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

Sources

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