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

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

InChI
InChI=1S/C26H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27(5)26(29)31-21-9-7-2/h2,23-24H,6,8-22H2,1,3-5H3
InChI Key
FZWCZCSEIHCESL-UHFFFAOYSA-N
Formula
C26H47NO4
SMILES
C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCC)C(C)C
Molecular Weight1
437.66
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Physical Properties

Property Value Unit Source
ΔfusH° 70.78 kJ/mol Joback Calculated Property
log10WS -6.50 Relay (1.0) Calculated Property
logPoct/wat 6.737 Crippen Calculated Property
McVol 393.460 ml/mol McGowan Calculated Property
Inp [2854.00; 2854.00]   Show Hide
Inp 2854.00 NIST
Inp 2854.00 NIST
Tboil 671.66 K Relay (1.0) Calculated Property
Tfus 319.07 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 [593.41; 1358.34] 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 A2.97960e+01
Coefficient B2.40608e+00
Coefficient C-1.31633e-03
Coefficient D2.38790e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 593.41 J/mol×K 273.00 Calculated Property
Cp,gas 726.84 J/mol×K 353.78 Calculated Property
Cp,gas 846.39 J/mol×K 434.56 Calculated Property
Cp,gas 952.83 J/mol×K 515.33 Calculated Property
Cp,gas 1046.91 J/mol×K 596.11 Calculated Property
Cp,gas 1129.39 J/mol×K 676.89 Calculated Property
Cp,gas 1201.01 J/mol×K 757.67 Calculated Property
Cp,gas 1262.54 J/mol×K 838.44 Calculated Property
Cp,gas 1314.73 J/mol×K 919.22 Calculated Property
Cp,gas 1358.34 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)-, tridecyl ester. DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexadecyl 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)-, pentadecyl ester.

Sources

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