Chemical Properties of «beta»-Alanine, N-(2,6-difluorobenzoyl)-, propyl ester

«beta»-Alanine, N-(2,6-difluorobenzoyl)-, propyl ester

InChI
InChI=1S/C13H15F2NO3/c1-2-8-19-11(17)6-7-16-13(18)12-9(14)4-3-5-10(12)15/h3-5H,2,6-8H2,1H3,(H,16,18)
InChI Key
CFMOGIPGQWTXEY-UHFFFAOYSA-N
Formula
C13H15F2NO3
SMILES
CCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
271.26
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Physical Properties

Property Value Unit Source
ΔfusH° 39.92 kJ/mol Joback Calculated Property
log10WS -3.56 Relay (1.0) Calculated Property
logPoct/wat 2.038 Crippen Calculated Property
McVol 192.800 ml/mol McGowan Calculated Property
Pc 2115.83 kPa Joback Calculated Property
Inp 1972.00 NIST
Tboil 587.93 K Relay (1.0) Calculated Property
Tc 802.32 K Relay (1.0) Calculated Property
Tfus 330.86 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 [524.65; 588.80] J/mol×K [694.48; 888.48] Show Hide
Cp,gas 524.65 J/mol×K 694.48 Joback Calculated Property
Cp,gas 537.31 J/mol×K 726.81 Joback Calculated Property
Cp,gas 549.16 J/mol×K 759.15 Joback Calculated Property
Cp,gas 560.22 J/mol×K 791.48 Joback Calculated Property
Cp,gas 570.50 J/mol×K 823.81 Joback Calculated Property
Cp,gas 580.02 J/mol×K 856.15 Joback Calculated Property
Cp,gas 588.80 J/mol×K 888.48 Joback Calculated Property

Similar Compounds

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

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

Sources

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