Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl ester

D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl ester

InChI
InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-26(31)21(2)29-25(30)22-17-18-23(27)24(28)20-22/h17-18,20-21H,3-16,19H2,1-2H3,(H,29,30)
InChI Key
UUELQDLOKUDNSA-UHFFFAOYSA-N
Formula
C26H41F2NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
453.61
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° 70.06 kJ/mol Joback Calculated Property
log10WS -7.66 Relay (1.0) Calculated Property
logPoct/wat 7.108 Crippen Calculated Property
McVol 375.970 ml/mol McGowan Calculated Property
Pc 857.97 kPa Joback Calculated Property
Inp [3141.00; 3141.00]   Show Hide
Inp 3141.00 NIST
Inp 3141.00 NIST
Tboil 669.37 K Relay (1.0) Calculated Property
Tfus 343.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [1280.76; 1361.85] J/mol×K [991.48; 1217.71] Show Hide
Cp,gas 1280.76 J/mol×K 991.48 Joback Calculated Property
Cp,gas 1297.95 J/mol×K 1029.19 Joback Calculated Property
Cp,gas 1313.58 J/mol×K 1066.89 Joback Calculated Property
Cp,gas 1327.71 J/mol×K 1104.60 Joback Calculated Property
Cp,gas 1340.41 J/mol×K 1142.30 Joback Calculated Property
Cp,gas 1351.77 J/mol×K 1180.01 Joback Calculated Property
Cp,gas 1361.85 J/mol×K 1217.71 Joback Calculated Property

Similar Compounds

D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, nonyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, butyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl 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.