Chemical Properties of L-Valine, N-(3-bromobenzoyl)-, pentadecyl ester

L-Valine, N-(3-bromobenzoyl)-, pentadecyl ester

InChI
InChI=1S/C27H44BrNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-27(31)25(22(2)3)29-26(30)23-18-17-19-24(28)21-23/h17-19,21-22,25H,4-16,20H2,1-3H3,(H,29,30)
InChI Key
GYPIFIWVOUPVMD-UHFFFAOYSA-N
Formula
C27H44BrNO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Br)c1)C(C)C
Molecular Weight1
510.56
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° 68.64 kJ/mol Joback Calculated Property
log10WS -8.21 Relay (1.0) Calculated Property
logPoct/wat 7.838 Crippen Calculated Property
McVol 404.020 ml/mol McGowan Calculated Property
Pc 902.89 kPa Joback Calculated Property
Inp 3470.00 NIST
Tboil 696.56 K Relay (1.0) Calculated Property
Tfus 351.21 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [570.35; 1334.88] 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-4.87600e+00
Coefficient B2.47386e+00
Coefficient C-1.42226e-03
Coefficient D2.88160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 570.35 J/mol×K 273.00 Calculated Property
Cp,gas 705.07 J/mol×K 353.78 Calculated Property
Cp,gas 825.22 J/mol×K 434.56 Calculated Property
Cp,gas 931.72 J/mol×K 515.33 Calculated Property
Cp,gas 1025.46 J/mol×K 596.11 Calculated Property
Cp,gas 1107.37 J/mol×K 676.89 Calculated Property
Cp,gas 1178.36 J/mol×K 757.67 Calculated Property
Cp,gas 1239.33 J/mol×K 838.44 Calculated Property
Cp,gas 1291.20 J/mol×K 919.22 Calculated Property
Cp,gas 1334.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-bromobenzoyl)-, octyl ester. L-Valine, N-(3-bromobenzoyl)-, nonyl ester. L-Valine, N-(3-bromobenzoyl)-, hexyl ester. L-Valine, N-(3-bromobenzoyl)-, heptyl ester. L-Valine, N-(3-bromobenzoyl)-, tetradecyl ester. L-Valine, N-(3-bromobenzoyl)-, undecyl ester. L-Valine, N-(3-bromobenzoyl)-, dodecyl ester. L-Valine, N-(3-bromobenzoyl)-, decyl ester. L-Valine, N-(3-bromobenzoyl)-, pentyl ester. L-Valine, N-(3-bromobenzoyl)-, butyl ester. L-Valine, N-(3-bromobenzoyl)-, propyl ester. L-Valine, N-(4-fluorobenzoyl)-, decyl ester. L-Valine, N-(4-fluorobenzoyl)-, octadecyl ester. L-Valine, N-(4-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(4-fluorobenzoyl)-, hexadecyl ester.

Find more compounds similar to L-Valine, N-(3-bromobenzoyl)-, pentadecyl 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.