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

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

InChI
InChI=1S/C17H23F2NO3/c1-2-3-4-5-6-12-23-15(21)10-11-20-17(22)16-13(18)8-7-9-14(16)19/h7-9H,2-6,10-12H2,1H3,(H,20,22)
InChI Key
IUFCJLORSONGBC-UHFFFAOYSA-N
Formula
C17H23F2NO3
SMILES
CCCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F
Molecular Weight1
327.37
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 50.28 kJ/mol Joback Calculated Property
ΔvapH° 98.14 kJ/mol Relay (1.0) Calculated Property
log10WS -5.07 Relay (1.0) Calculated Property
logPoct/wat 3.598 Crippen Calculated Property
McVol 249.160 ml/mol McGowan Calculated Property
Pc 1528.27 kPa Joback Calculated Property
Inp [2376.00; 2376.00]   Show Hide
Inp 2376.00 NIST
Inp 2376.00 NIST
Tboil 621.47 K Relay (1.0) Calculated Property
Tfus 330.86 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 [742.12; 813.52] J/mol×K [786.00; 977.27] Show Hide
Cp,gas 742.12 J/mol×K 786.00 Joback Calculated Property
Cp,gas 756.31 J/mol×K 817.88 Joback Calculated Property
Cp,gas 769.55 J/mol×K 849.76 Joback Calculated Property
Cp,gas 781.87 J/mol×K 881.63 Joback Calculated Property
Cp,gas 793.29 J/mol×K 913.51 Joback Calculated Property
Cp,gas 803.83 J/mol×K 945.39 Joback Calculated Property
Cp,gas 813.52 J/mol×K 977.27 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)-, octyl 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)-, heptyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.