Chemical Properties of .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester

.beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester

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

Property Value Unit Source
ΔfusH° 50.38 kJ/mol Joback Calculated Property
ΔvapH° 95.82 kJ/mol Relay (1.0) Calculated Property
log10WS -5.10 Relay (1.0) Calculated Property
logPoct/wat 3.347 Crippen Calculated Property
McVol 236.840 ml/mol McGowan Calculated Property
Pc 1572.21 kPa Joback Calculated Property
Inp [2154.00; 2154.00]   Show Hide
Inp 2154.00 NIST
Inp 2154.00 NIST
Tboil 611.64 K Relay (1.0) Calculated Property
Tfus 318.84 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [692.93; 760.36] J/mol×K [767.37; 954.56] Show Hide
Cp,gas 692.93 J/mol×K 767.37 Joback Calculated Property
Cp,gas 706.27 J/mol×K 798.57 Joback Calculated Property
Cp,gas 718.75 J/mol×K 829.77 Joback Calculated Property
Cp,gas 730.38 J/mol×K 860.96 Joback Calculated Property
Cp,gas 741.18 J/mol×K 892.16 Joback Calculated Property
Cp,gas 751.17 J/mol×K 923.36 Joback Calculated Property
Cp,gas 760.36 J/mol×K 954.56 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, propyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester.

Find more compounds similar to .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester.

Sources

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