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

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

InChI
InChI=1S/C29H53NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-33-28(31)27(26(3)4)30(5)29(32)34-24-9-7-2/h2,26-27H,6,8-25H2,1,3-5H3
InChI Key
KIIKPNIXTMAUQT-UHFFFAOYSA-N
Formula
C29H53NO4
SMILES
C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCCCCCC)C(C)C
Molecular Weight1
479.74
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Physical Properties

Property Value Unit Source
ΔfusH° 78.55 kJ/mol Joback Calculated Property
log10WS -7.46 Relay (1.0) Calculated Property
logPoct/wat 7.907 Crippen Calculated Property
McVol 435.730 ml/mol McGowan Calculated Property
Inp [3160.00; 3160.00]   Show Hide
Inp 3160.00 NIST
Inp 3160.00 NIST
Tboil 692.09 K Relay (1.0) Calculated Property
Tfus 325.21 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 [657.05; 1513.11] 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 A2.70690e+01
Coefficient B2.69108e+00
Coefficient C-1.47953e-03
Coefficient D2.74490e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 657.05 J/mol×K 273.00 Calculated Property
Cp,gas 806.09 J/mol×K 353.78 Calculated Property
Cp,gas 939.63 J/mol×K 434.56 Calculated Property
Cp,gas 1058.52 J/mol×K 515.33 Calculated Property
Cp,gas 1163.65 J/mol×K 596.11 Calculated Property
Cp,gas 1255.87 J/mol×K 676.89 Calculated Property
Cp,gas 1336.06 J/mol×K 757.67 Calculated Property
Cp,gas 1405.09 J/mol×K 838.44 Calculated Property
Cp,gas 1463.81 J/mol×K 919.22 Calculated Property
Cp,gas 1513.11 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)-, 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)-, 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)-, octadecyl ester.

Sources

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