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

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

InChI
InChI=1S/C16H21F2NO3/c1-2-3-4-5-11-22-14(20)9-10-19-16(21)15-12(17)7-6-8-13(15)18/h6-8H,2-5,9-11H2,1H3,(H,19,21)
InChI Key
PCVORLYYYGRNKI-UHFFFAOYSA-N
Formula
C16H21F2NO3
SMILES
CCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
313.34
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Physical Properties

Property Value Unit Source
ΔfusH° 47.69 kJ/mol Joback Calculated Property
ΔvapH° 94.74 kJ/mol Relay (1.0) Calculated Property
log10WS -4.69 Relay (1.0) Calculated Property
logPoct/wat 3.208 Crippen Calculated Property
McVol 235.070 ml/mol McGowan Calculated Property
Pc 1649.77 kPa Joback Calculated Property
Inp [2270.00; 2270.00]   Show Hide
Inp 2270.00 NIST
Inp 2270.00 NIST
Tboil 613.62 K Relay (1.0) Calculated Property
Tfus 327.39 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 [686.15; 756.07] J/mol×K [763.12; 954.26] Show Hide
Cp,gas 686.15 J/mol×K 763.12 Joback Calculated Property
Cp,gas 700.00 J/mol×K 794.98 Joback Calculated Property
Cp,gas 712.95 J/mol×K 826.83 Joback Calculated Property
Cp,gas 725.01 J/mol×K 858.69 Joback Calculated Property
Cp,gas 736.20 J/mol×K 890.55 Joback Calculated Property
Cp,gas 746.54 J/mol×K 922.40 Joback Calculated Property
Cp,gas 756.07 J/mol×K 954.26 Joback Calculated Property

Similar Compounds

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

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

Sources

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