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

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

InChI
InChI=1S/C17H22F3NO3/c1-2-3-4-5-6-11-24-14(22)9-10-21-17(23)12-7-8-13(18)16(20)15(12)19/h7-8H,2-6,9-11H2,1H3,(H,21,23)
InChI Key
CHDVTBPGAIZIEZ-UHFFFAOYSA-N
Formula
C17H22F3NO3
SMILES
CCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
345.36
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Physical Properties

Property Value Unit Source
ΔfusH° 52.97 kJ/mol Joback Calculated Property
ΔvapH° 99.21 kJ/mol Relay (1.0) Calculated Property
log10WS -5.47 Relay (1.0) Calculated Property
logPoct/wat 3.737 Crippen Calculated Property
McVol 250.930 ml/mol McGowan Calculated Property
Pc 1459.02 kPa Joback Calculated Property
Inp 2254.00 NIST
Tboil 620.65 K Relay (1.0) Calculated Property
Tfus 321.90 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 [748.86; 817.92] J/mol×K [790.25; 978.23] Show Hide
Cp,gas 748.86 J/mol×K 790.25 Joback Calculated Property
Cp,gas 762.58 J/mol×K 821.58 Joback Calculated Property
Cp,gas 775.38 J/mol×K 852.91 Joback Calculated Property
Cp,gas 787.30 J/mol×K 884.24 Joback Calculated Property
Cp,gas 798.35 J/mol×K 915.57 Joback Calculated Property
Cp,gas 808.55 J/mol×K 946.90 Joback Calculated Property
Cp,gas 817.92 J/mol×K 978.23 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)-, nonyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, undecyl 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)-, heptyl ester.

Sources

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