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

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

InChI
InChI=1S/C18H24F3NO3/c1-2-3-4-5-6-7-12-25-15(23)10-11-22-18(24)13-8-9-14(19)17(21)16(13)20/h8-9H,2-7,10-12H2,1H3,(H,22,24)
InChI Key
NGRMXYWTAFLVNS-UHFFFAOYSA-N
Formula
C18H24F3NO3
SMILES
CCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
359.38
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Physical Properties

Property Value Unit Source
ΔfusH° 55.56 kJ/mol Joback Calculated Property
ΔvapH° 102.76 kJ/mol Relay (1.0) Calculated Property
log10WS -5.81 Relay (1.0) Calculated Property
logPoct/wat 4.128 Crippen Calculated Property
McVol 265.020 ml/mol McGowan Calculated Property
Pc 1357.63 kPa Joback Calculated Property
Inp [2353.00; 2353.00]   Show Hide
Inp 2353.00 NIST
Inp 2353.00 NIST
Tboil 628.96 K Relay (1.0) Calculated Property
Tfus 325.04 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [395.77; 875.55] 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 A4.53490e+01
Coefficient B1.48522e+00
Coefficient C-7.69980e-04
Coefficient D1.14960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 395.77 J/mol×K 273.00 Calculated Property
Cp,gas 479.51 J/mol×K 353.78 Calculated Property
Cp,gas 554.79 J/mol×K 434.56 Calculated Property
Cp,gas 621.98 J/mol×K 515.33 Calculated Property
Cp,gas 681.45 J/mol×K 596.11 Calculated Property
Cp,gas 733.54 J/mol×K 676.89 Calculated Property
Cp,gas 778.64 J/mol×K 757.67 Calculated Property
Cp,gas 817.10 J/mol×K 838.44 Calculated Property
Cp,gas 849.28 J/mol×K 919.22 Calculated Property
Cp,gas 875.55 J/mol×K 1000.00 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)-, undecyl 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)-, octyl ester.

Sources

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