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

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

InChI
InChI=1S/C15H18F3NO3/c1-2-3-9-22-13(20)7-8-19-14(21)11-5-4-6-12(10-11)15(16,17)18/h4-6,10H,2-3,7-9H2,1H3,(H,19,21)
InChI Key
RQWSSIQMHUEKSH-UHFFFAOYSA-N
Formula
C15H18F3NO3
SMILES
CCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
317.30
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Physical Properties

Property Value Unit Source
ω 0.7937 Relay (1.0) Calculated Property
ΔfusH° 41.15 kJ/mol Joback Calculated Property
log10WS -4.09 Relay (1.0) Calculated Property
logPoct/wat 3.169 Crippen Calculated Property
McVol 222.750 ml/mol McGowan Calculated Property
Pc 1769.87 kPa Joback Calculated Property
Inp 2037.00 NIST
Tboil 603.68 K Relay (1.0) Calculated Property
Tc 811.55 K Relay (1.0) Calculated Property
Tfus 322.01 K Relay (1.0) Calculated Property
Vc 0.810 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [642.25; 709.30] J/mol×K [731.30; 923.14] Show Hide
Cp,gas 642.25 J/mol×K 731.30 Joback Calculated Property
Cp,gas 655.61 J/mol×K 763.27 Joback Calculated Property
Cp,gas 668.04 J/mol×K 795.25 Joback Calculated Property
Cp,gas 679.58 J/mol×K 827.22 Joback Calculated Property
Cp,gas 690.28 J/mol×K 859.19 Joback Calculated Property
Cp,gas 700.17 J/mol×K 891.17 Joback Calculated Property
Cp,gas 709.30 J/mol×K 923.14 Joback Calculated Property

Similar Compounds

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

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

Sources

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