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

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

InChI
InChI=1S/C18H25F2NO3/c1-2-3-4-5-6-7-13-24-16(22)11-12-21-18(23)17-14(19)9-8-10-15(17)20/h8-10H,2-7,11-13H2,1H3,(H,21,23)
InChI Key
JQLJFGCQCPMRSE-UHFFFAOYSA-N
Formula
C18H25F2NO3
SMILES
CCCCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
341.40
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Physical Properties

Property Value Unit Source
ΔfusH° 52.87 kJ/mol Joback Calculated Property
ΔvapH° 101.76 kJ/mol Relay (1.0) Calculated Property
log10WS -5.40 Relay (1.0) Calculated Property
logPoct/wat 3.988 Crippen Calculated Property
McVol 263.250 ml/mol McGowan Calculated Property
Pc 1419.71 kPa Joback Calculated Property
Inp [2478.00; 2478.00]   Show Hide
Inp 2478.00 NIST
Inp 2478.00 NIST
Tboil 628.86 K Relay (1.0) Calculated Property
Tfus 333.26 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [799.04; 871.78] J/mol×K [808.88; 1000.89] Show Hide
Cp,gas 799.04 J/mol×K 808.88 Joback Calculated Property
Cp,gas 813.55 J/mol×K 840.88 Joback Calculated Property
Cp,gas 827.06 J/mol×K 872.88 Joback Calculated Property
Cp,gas 839.62 J/mol×K 904.89 Joback Calculated Property
Cp,gas 851.24 J/mol×K 936.89 Joback Calculated Property
Cp,gas 861.95 J/mol×K 968.89 Joback Calculated Property
Cp,gas 871.78 J/mol×K 1000.89 Joback Calculated Property

Similar Compounds

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

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

Sources

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