Chemical Properties of «beta»-Alanine, N-(1-naphthoyl)-, propyl ester

«beta»-Alanine, N-(1-naphthoyl)-, propyl ester

InChI
InChI=1S/C17H19NO3/c1-2-12-21-16(19)10-11-18-17(20)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,10-12H2,1H3,(H,18,20)
InChI Key
UTPVWDZEULQEGA-UHFFFAOYSA-N
Formula
C17H19NO3
SMILES
CCCOC(=O)CCNC(=O)c1cccc2ccccc12
Molecular Weight1
285.34
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Physical Properties

Property Value Unit Source
ΔfusH° 41.52 kJ/mol Joback Calculated Property
IE 8.35 eV Relay (1.0) Calculated Property
log10WS -3.90 Relay (1.0) Calculated Property
logPoct/wat 2.913 Crippen Calculated Property
McVol 226.160 ml/mol McGowan Calculated Property
Pc 2051.17 kPa Joback Calculated Property
Inp [2547.00; 2547.00]   Show Hide
Inp 2547.00 NIST
Inp 2547.00 NIST
Tboil 670.07 K Relay (1.0) Calculated Property
Tc 931.35 K Relay (1.0) Calculated Property
Tfus 352.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [303.86; 718.04] 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-3.20560e+01
Coefficient B1.47012e+00
Coefficient C-9.37180e-04
Coefficient D2.17160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 303.86 J/mol×K 273.00 Calculated Property
Cp,gas 380.36 J/mol×K 353.78 Calculated Property
Cp,gas 447.64 J/mol×K 434.56 Calculated Property
Cp,gas 506.38 J/mol×K 515.33 Calculated Property
Cp,gas 557.27 J/mol×K 596.11 Calculated Property
Cp,gas 601.01 J/mol×K 676.89 Calculated Property
Cp,gas 638.26 J/mol×K 757.67 Calculated Property
Cp,gas 669.73 J/mol×K 838.44 Calculated Property
Cp,gas 696.09 J/mol×K 919.22 Calculated Property
Cp,gas 718.04 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(1-naphthoyl)-, ethyl ester. «beta»-Alanine, N-(1-naphthoyl)-, butyl ester. «beta»-Alanine, N-(1-naphthoyl)-, hexyl ester. «beta»-Alanine, N-(1-naphthoyl)-, heptyl ester. «beta»-Alanine, N-(1-naphthoyl)-, nonyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, propyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, propyl ester. «beta»-Alanine, N-(3-bromobenzoyl)-, propyl ester. «beta»-Alanine, N-(4-methoxybenzoyl)-, propyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester. .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, propyl ester. «beta»-Alanine, N-(2-chlorobenzoyl)-, propyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, propyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, isobutyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, ethyl ester.

Find more compounds similar to «beta»-Alanine, N-(1-naphthoyl)-, propyl ester.

Sources

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