Chemical Properties of .beta.-Alanine, N-(4-fluorobenzoyl)-, ethyl ester

.beta.-Alanine, N-(4-fluorobenzoyl)-, ethyl ester

InChI
InChI=1S/C12H14FNO3/c1-2-17-11(15)7-8-14-12(16)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16)
InChI Key
QKUDTVCOXZRHAZ-UHFFFAOYSA-N
Formula
C12H14FNO3
SMILES
CCOC(=O)CCNC(=O)c1ccc(F)cc1
Molecular Weight1
239.25
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Physical Properties

Property Value Unit Source
ΔfusH° 34.63 kJ/mol Joback Calculated Property
IE 9.10 eV Relay (1.0) Calculated Property
log10WS -2.89 Relay (1.0) Calculated Property
logPoct/wat 1.509 Crippen Calculated Property
McVol 176.940 ml/mol McGowan Calculated Property
Pc 2455.60 kPa Joback Calculated Property
Inp [1855.00; 1855.00]   Show Hide
Inp 1855.00 NIST
Inp 1855.00 NIST
Tboil 589.74 K Relay (1.0) Calculated Property
Tc 796.35 K Relay (1.0) Calculated Property
Tfus 331.90 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [466.22; 531.03] J/mol×K [667.35; 870.29] Show Hide
Cp,gas 466.22 J/mol×K 667.35 Joback Calculated Property
Cp,gas 479.09 J/mol×K 701.17 Joback Calculated Property
Cp,gas 491.10 J/mol×K 735.00 Joback Calculated Property
Cp,gas 502.29 J/mol×K 768.82 Joback Calculated Property
Cp,gas 512.66 J/mol×K 802.65 Joback Calculated Property
Cp,gas 522.23 J/mol×K 836.47 Joback Calculated Property
Cp,gas 531.03 J/mol×K 870.29 Joback Calculated Property

Similar Compounds

.beta.-Alanine, N-(4-fluorobenzoyl)-, propyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, butyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-chlorobenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, propyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, hexyl ester. .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, dodecyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, decyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-fluorobenzoyl)-, pentadecyl ester. «beta»-Alanine, N-(4-fluorobenzoyl)-, tetradecyl ester.

Find more compounds similar to .beta.-Alanine, N-(4-fluorobenzoyl)-, ethyl ester.

Sources

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