Chemical Properties of L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester

L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester

InChI
InChI=1S/C32H49F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-42-30(41)28(24(2)3)39-29(40)26-23-25(31(33,34)35)20-21-27(26)32(36,37)38/h20-21,23-24,28H,4-19,22H2,1-3H3,(H,39,40)
InChI Key
BSAUAWZETINORS-UHFFFAOYSA-N
Formula
C32H49F6NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C
Molecular Weight1
609.73
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° 79.57 kJ/mol Joback Calculated Property
logPoct/wat 10.283 Crippen Calculated Property
McVol 467.590 ml/mol McGowan Calculated Property
Inp [3328.00; 3328.00]   Show Hide
Inp 3328.00 NIST
Inp 3328.00 NIST
Tboil 706.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [1686.91; 1798.25] J/mol×K [1118.94; 1424.54] Show Hide
Cp,gas 1686.91 J/mol×K 1118.94 Joback Calculated Property
Cp,gas 1708.93 J/mol×K 1169.87 Joback Calculated Property
Cp,gas 1729.07 J/mol×K 1220.81 Joback Calculated Property
Cp,gas 1747.71 J/mol×K 1271.74 Joback Calculated Property
Cp,gas 1765.20 J/mol×K 1322.67 Joback Calculated Property
Cp,gas 1781.93 J/mol×K 1373.60 Joback Calculated Property
Cp,gas 1798.25 J/mol×K 1424.54 Joback Calculated Property

Similar Compounds

L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl 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.