Chemical Properties of «beta»-Alanine, N-(4-butylbenzoyl)-, propyl ester

«beta»-Alanine, N-(4-butylbenzoyl)-, propyl ester

InChI
InChI=1S/C17H25NO3/c1-3-5-6-14-7-9-15(10-8-14)17(20)18-12-11-16(19)21-13-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)
InChI Key
MLXNMDBZKDIUHF-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
CCCCc1ccc(C(=O)NCCC(=O)OCCC)cc1
Molecular Weight1
291.39
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Physical Properties

Property Value Unit Source
ΔfusH° 44.50 kJ/mol Joback Calculated Property
ΔvapH° 100.34 kJ/mol Relay (1.0) Calculated Property
log10WS -4.29 Relay (1.0) Calculated Property
logPoct/wat 3.102 Crippen Calculated Property
McVol 245.620 ml/mol McGowan Calculated Property
Pc 1661.90 kPa Joback Calculated Property
Inp 2430.00 NIST
Tboil 638.50 K Relay (1.0) Calculated Property
Tc 851.27 K Relay (1.0) Calculated Property
Tfus 303.78 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [344.86; 808.83] 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 A-6.13000e-01
Coefficient B1.47384e+00
Coefficient C-8.00460e-04
Coefficient D1.36060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 344.86 J/mol×K 273.00 Calculated Property
Cp,gas 426.64 J/mol×K 353.78 Calculated Property
Cp,gas 499.86 J/mol×K 434.56 Calculated Property
Cp,gas 564.95 J/mol×K 515.33 Calculated Property
Cp,gas 622.34 J/mol×K 596.11 Calculated Property
Cp,gas 672.46 J/mol×K 676.89 Calculated Property
Cp,gas 715.73 J/mol×K 757.67 Calculated Property
Cp,gas 752.60 J/mol×K 838.44 Calculated Property
Cp,gas 783.49 J/mol×K 919.22 Calculated Property
Cp,gas 808.83 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(4-butylbenzoyl)-, butyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, isobutyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, octyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, heptyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, butyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, propyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-ethylbenzoyl)-, decyl ester.

Find more compounds similar to «beta»-Alanine, N-(4-butylbenzoyl)-, propyl ester.

Sources

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