Chemical Properties of «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester

«beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester

InChI
InChI=1S/C21H30F3NO3/c1-2-3-4-5-6-7-8-9-10-15-28-18(26)13-14-25-21(27)16-11-12-17(22)20(24)19(16)23/h11-12H,2-10,13-15H2,1H3,(H,25,27)
InChI Key
BHVIYNPVUKSNSL-UHFFFAOYSA-N
Formula
C21H30F3NO3
SMILES
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
401.46
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Physical Properties

Property Value Unit Source
ΔfusH° 63.33 kJ/mol Joback Calculated Property
ΔvapH° 115.16 kJ/mol Relay (1.0) Calculated Property
log10WS -6.69 Relay (1.0) Calculated Property
logPoct/wat 5.298 Crippen Calculated Property
McVol 307.290 ml/mol McGowan Calculated Property
Pc 1109.63 kPa Joback Calculated Property
Inp 2663.00 NIST
Tboil 652.39 K Relay (1.0) Calculated Property
Tfus 333.10 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 [981.28; 1055.79] J/mol×K [881.77; 1080.02] Show Hide
Cp,gas 981.28 J/mol×K 881.77 Joback Calculated Property
Cp,gas 996.42 J/mol×K 914.81 Joback Calculated Property
Cp,gas 1010.44 J/mol×K 947.85 Joback Calculated Property
Cp,gas 1023.35 J/mol×K 980.89 Joback Calculated Property
Cp,gas 1035.19 J/mol×K 1013.93 Joback Calculated Property
Cp,gas 1045.99 J/mol×K 1046.98 Joback Calculated Property
Cp,gas 1055.79 J/mol×K 1080.02 Joback Calculated Property

Similar Compounds

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

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

Sources

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