Chemical Properties of «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexyl ester

«beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexyl ester

InChI
InChI=1S/C17H22F3NO3/c1-2-3-4-5-11-24-15(22)9-10-21-16(23)13-7-6-8-14(12-13)17(18,19)20/h6-8,12H,2-5,9-11H2,1H3,(H,21,23)
InChI Key
TYUNJHLHZXEUIK-UHFFFAOYSA-N
Formula
C17H22F3NO3
SMILES
CCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
345.36
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Physical Properties

Property Value Unit Source
ΔfusH° 46.33 kJ/mol Joback Calculated Property
ΔvapH° 95.79 kJ/mol Relay (1.0) Calculated Property
log10WS -4.86 Relay (1.0) Calculated Property
logPoct/wat 3.949 Crippen Calculated Property
McVol 250.930 ml/mol McGowan Calculated Property
Pc 1515.21 kPa Joback Calculated Property
Inp [2225.00; 2225.00]   Show Hide
Inp 2225.00 NIST
Inp 2225.00 NIST
Tboil 624.00 K Relay (1.0) Calculated Property
Tfus 326.11 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 [752.37; 822.66] J/mol×K [777.06; 968.15] Show Hide
Cp,gas 752.37 J/mol×K 777.06 Joback Calculated Property
Cp,gas 766.36 J/mol×K 808.91 Joback Calculated Property
Cp,gas 779.38 J/mol×K 840.76 Joback Calculated Property
Cp,gas 791.47 J/mol×K 872.61 Joback Calculated Property
Cp,gas 802.69 J/mol×K 904.46 Joback Calculated Property
Cp,gas 813.07 J/mol×K 936.30 Joback Calculated Property
Cp,gas 822.66 J/mol×K 968.15 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexyl ester.

Sources

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