Chemical Properties of «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester

«beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester

InChI
InChI=1S/C19H28FNO3/c1-2-3-4-5-6-7-8-14-24-18(22)12-13-21-19(23)16-10-9-11-17(20)15-16/h9-11,15H,2-8,12-14H2,1H3,(H,21,23)
InChI Key
NBZFYWQPOLTQHM-UHFFFAOYSA-N
Formula
C19H28FNO3
SMILES
CCCCCCCCCOC(=O)CCNC(=O)c1cccc(F)c1
Molecular Weight1
337.43
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Physical Properties

Property Value Unit Source
ΔfusH° 52.76 kJ/mol Joback Calculated Property
ΔvapH° 109.41 kJ/mol Relay (1.0) Calculated Property
log10WS -5.42 Relay (1.0) Calculated Property
logPoct/wat 4.239 Crippen Calculated Property
McVol 275.570 ml/mol McGowan Calculated Property
Pc 1381.96 kPa Joback Calculated Property
Inp [2548.00; 2548.00]   Show Hide
Inp 2548.00 NIST
Inp 2548.00 NIST
Tboil 644.37 K Relay (1.0) Calculated Property
Tfus 309.22 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 [395.48; 919.08] 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 A3.66000e+00
Coefficient B1.67562e+00
Coefficient C-9.25660e-04
Coefficient D1.65460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 395.48 J/mol×K 273.00 Calculated Property
Cp,gas 487.93 J/mol×K 353.78 Calculated Property
Cp,gas 570.59 J/mol×K 434.56 Calculated Property
Cp,gas 643.98 J/mol×K 515.33 Calculated Property
Cp,gas 708.63 J/mol×K 596.11 Calculated Property
Cp,gas 765.07 J/mol×K 676.89 Calculated Property
Cp,gas 813.80 J/mol×K 757.67 Calculated Property
Cp,gas 855.37 J/mol×K 838.44 Calculated Property
Cp,gas 890.29 J/mol×K 919.22 Calculated Property
Cp,gas 919.08 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Alanine, N-(3-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, tetradecyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, heptyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, butyl ester. .BETA.-alanine, n-(4-fluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, decyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, dodecyl ester.

Find more compounds similar to «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester.

Sources

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