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

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

InChI
InChI=1S/C16H20F3NO3/c1-10(2)4-3-9-23-13(21)7-8-20-16(22)11-5-6-12(17)15(19)14(11)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,22)
InChI Key
YXHSSAQMISUBOH-UHFFFAOYSA-N
Formula
C16H20F3NO3
SMILES
CC(C)CCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
331.33
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Physical Properties

Property Value Unit Source
ΔfusH° 46.85 kJ/mol Joback Calculated Property
log10WS -4.96 Relay (1.0) Calculated Property
logPoct/wat 3.203 Crippen Calculated Property
McVol 236.840 ml/mol McGowan Calculated Property
Inp [2108.00; 2108.00]   Show Hide
Inp 2108.00 NIST
Inp 2108.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [353.03; 772.90] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.54850e+01
Coefficient B1.30114e+00
Coefficient C-6.64380e-04
Coefficient D9.06600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 353.03 J/mol×K 273.00 Calculated Property
Cp,gas 426.66 J/mol×K 353.78 Calculated Property
Cp,gas 492.88 J/mol×K 434.56 Calculated Property
Cp,gas 551.97 J/mol×K 515.33 Calculated Property
Cp,gas 604.23 J/mol×K 596.11 Calculated Property
Cp,gas 649.92 J/mol×K 676.89 Calculated Property
Cp,gas 689.35 J/mol×K 757.67 Calculated Property
Cp,gas 722.80 J/mol×K 838.44 Calculated Property
Cp,gas 750.56 J/mol×K 919.22 Calculated Property
Cp,gas 772.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

.beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl 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)-, undecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, isohexyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentyl ester. .beta.-Alanine, N-(2,3,4-trifluorobenzoyl)-, isobutyl ester.

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

Sources

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