Chemical Properties of .beta.-Alanine, N-(2,6-difluorobenzoyl)-, ethyl ester

.beta.-Alanine, N-(2,6-difluorobenzoyl)-, ethyl ester

InChI
InChI=1S/C12H13F2NO3/c1-2-18-10(16)6-7-15-12(17)11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H,15,17)
InChI Key
DCPLMPSRUHFYLF-UHFFFAOYSA-N
Formula
C12H13F2NO3
SMILES
CCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
257.24
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Physical Properties

Property Value Unit Source
ΔfusH° 37.33 kJ/mol Joback Calculated Property
log10WS -3.18 Relay (1.0) Calculated Property
logPoct/wat 1.648 Crippen Calculated Property
McVol 178.710 ml/mol McGowan Calculated Property
Pc 2315.84 kPa Joback Calculated Property
Inp 1866.00 NIST
Tboil 575.83 K Relay (1.0) Calculated Property
Tc 796.05 K Relay (1.0) Calculated Property
Tfus 342.14 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [473.24; 534.85] J/mol×K [671.60; 867.47] Show Hide
Cp,gas 473.24 J/mol×K 671.60 Joback Calculated Property
Cp,gas 485.39 J/mol×K 704.25 Joback Calculated Property
Cp,gas 496.77 J/mol×K 736.89 Joback Calculated Property
Cp,gas 507.39 J/mol×K 769.54 Joback Calculated Property
Cp,gas 517.27 J/mol×K 802.18 Joback Calculated Property
Cp,gas 526.42 J/mol×K 834.83 Joback Calculated Property
Cp,gas 534.85 J/mol×K 867.47 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(2,6-difluorobenzoyl)-, propyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, butyl ester. «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, ethyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, pentyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, hexyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester. «beta»- Alanine, N-(2,6-difluorobenzoyl)-, tetradecyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, octyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, nonyl ester. «beta»-Alanine, N-(2,6-difluorobenzoyl)-, undecyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, decyl ester. .beta.-Alanine, N-(2,6-difluorobenzoyl)-, heptyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, ethyl ester. «beta»-Alanine, N-(3-fluorobenzoyl)-, propyl ester.

Find more compounds similar to .beta.-Alanine, N-(2,6-difluorobenzoyl)-, ethyl ester.

Sources

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