Chemical Properties of l-Valine, n-heptafluorobutyryl-, propyl ester

l-Valine, n-heptafluorobutyryl-, propyl ester

InChI
InChI=1S/C12H16F7NO3/c1-4-5-23-8(21)7(6(2)3)20-9(22)10(13,14)11(15,16)12(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,22)
InChI Key
WSTNRUHXTIIYGL-UHFFFAOYSA-N
Formula
C12H16F7NO3
SMILES
CCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
Molecular Weight1
355.25
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° 30.18 kJ/mol Joback Calculated Property
logPoct/wat 2.913 Crippen Calculated Property
McVol 211.320 ml/mol McGowan Calculated Property
Pc 1561.05 kPa Joback Calculated Property
Inp [1257.00; 1257.00]   Show Hide
Inp 1257.00 NIST
Inp 1257.00 NIST
Tboil 476.41 K Relay (1.0) Calculated Property
Tc 624.04 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [345.87; 727.41] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.06080e+01
Coefficient B1.60906e+00
Coefficient C-1.20090e-03
Coefficient D3.29860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 345.87 J/mol×K 273.00 Calculated Property
Cp,gas 422.94 J/mol×K 353.78 Calculated Property
Cp,gas 488.91 J/mol×K 434.56 Calculated Property
Cp,gas 544.82 J/mol×K 515.33 Calculated Property
Cp,gas 591.71 J/mol×K 596.11 Calculated Property
Cp,gas 630.62 J/mol×K 676.89 Calculated Property
Cp,gas 662.61 J/mol×K 757.67 Calculated Property
Cp,gas 688.71 J/mol×K 838.44 Calculated Property
Cp,gas 709.96 J/mol×K 919.22 Calculated Property
Cp,gas 727.41 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-heptafluorobutyryl-, n-butyl ester. L-Valine, N-heptafluorobutyryl-, isobutyl ester. l-Valine, n-heptafluorobutyryl-, ethyl ester. L-Valine, N-heptafluorobutyryl-, pentyl ester. l-Valine, n-heptafluorobutyryl-, hexyl ester. l-Valine, n-heptafluorobutyryl-, heptyl ester. L-Valine, N-heptafluorobutyryl-, hexadecyl ester. l-Valine, n-heptafluorobutyryl-, tetradecyl ester. L-valine, n-heptafluorobutyryl-, nonyl ester. l-Valine, n-heptafluorobutyryl-, heptadecyl ester. l-Valine, n-heptafluorobutyryl-, dodecyl ester. l-Valine, n-heptafluorobutyryl-, octadecyl ester. l-Valine, n-heptafluorobutyryl-, undecyl ester. l-Valine, n-heptafluorobutyryl-, pentadecyl ester. l-Valine, n-heptafluorobutyryl-, isohexyl ester.

Find more compounds similar to l-Valine, n-heptafluorobutyryl-, propyl 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.