Chemical Properties of DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexadecyl ester

DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexadecyl ester

InChI
InChI=1S/C27H49NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-31-26(29)25(24(3)4)28(5)27(30)32-22-9-7-2/h2,24-25H,6,8-23H2,1,3-5H3
InChI Key
MZQJLNFKTXQFBJ-UHFFFAOYSA-N
Formula
C27H49NO4
SMILES
C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCCC)C(C)C
Molecular Weight1
451.68
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° 73.37 kJ/mol Joback Calculated Property
log10WS -6.81 Relay (1.0) Calculated Property
logPoct/wat 7.127 Crippen Calculated Property
McVol 407.550 ml/mol McGowan Calculated Property
Inp [2950.00; 2950.00]   Show Hide
Inp 2950.00 NIST
Inp 2950.00 NIST
Tboil 678.56 K Relay (1.0) Calculated Property
Tfus 321.34 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 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 [614.62; 1409.93] 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 A2.88870e+01
Coefficient B2.50108e+00
Coefficient C-1.37073e-03
Coefficient D2.50690e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 614.62 J/mol×K 273.00 Calculated Property
Cp,gas 753.25 J/mol×K 353.78 Calculated Property
Cp,gas 877.47 J/mol×K 434.56 Calculated Property
Cp,gas 988.06 J/mol×K 515.33 Calculated Property
Cp,gas 1085.82 J/mol×K 596.11 Calculated Property
Cp,gas 1171.55 J/mol×K 676.89 Calculated Property
Cp,gas 1246.03 J/mol×K 757.67 Calculated Property
Cp,gas 1310.06 J/mol×K 838.44 Calculated Property
Cp,gas 1364.42 J/mol×K 919.22 Calculated Property
Cp,gas 1409.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentadecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tridecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, undecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, decyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, dodecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octadecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, heptadecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, nonyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, undecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, pentyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, dodecyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, hexadecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, tridecyl ester.

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.