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

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

InChI
InChI=1S/C13H16FNO3/c1-2-8-18-12(16)6-7-15-13(17)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8H2,1H3,(H,15,17)
InChI Key
JYZGENXNIZQTKS-UHFFFAOYSA-N
Formula
C13H16FNO3
SMILES
CCCOC(=O)CCNC(=O)c1cccc(F)c1
Molecular Weight1
253.27
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Physical Properties

Property Value Unit Source
ΔfusH° 37.23 kJ/mol Joback Calculated Property
IE 9.18 eV Relay (1.0) Calculated Property
log10WS -3.20 Relay (1.0) Calculated Property
logPoct/wat 1.899 Crippen Calculated Property
McVol 191.030 ml/mol McGowan Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Inp [1942.00; 1942.00]   Show Hide
Inp 1942.00 NIST
Inp 1942.00 NIST
Tboil 597.96 K Relay (1.0) Calculated Property
Tfus 306.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [517.68; 584.94] J/mol×K [690.23; 890.73] Show Hide
Cp,gas 517.68 J/mol×K 690.23 Joback Calculated Property
Cp,gas 531.02 J/mol×K 723.65 Joback Calculated Property
Cp,gas 543.49 J/mol×K 757.06 Joback Calculated Property
Cp,gas 555.09 J/mol×K 790.48 Joback Calculated Property
Cp,gas 565.85 J/mol×K 823.90 Joback Calculated Property
Cp,gas 575.80 J/mol×K 857.31 Joback Calculated Property
Cp,gas 584.94 J/mol×K 890.73 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(3-fluorobenzoyl)-, ethyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, hexyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, undecyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, octyl ester. .beta.-Alanine, N-(3-fluorobenzoyl)-, decyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, propyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, propyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, ethyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, ethyl ester.

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

Sources

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