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

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

InChI
InChI=1S/C24H43NO4/c1-6-8-10-11-12-13-14-15-16-17-18-20-28-23(26)22(21(3)4)25(5)24(27)29-19-9-7-2/h2,21-22H,6,8-20H2,1,3-5H3
InChI Key
UELGDAIDYYKXHT-UHFFFAOYSA-N
Formula
C24H43NO4
SMILES
C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCC)C(C)C
Molecular Weight1
409.61
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Physical Properties

Property Value Unit Source
ΔfusH° 65.60 kJ/mol Joback Calculated Property
log10WS -5.89 Relay (1.0) Calculated Property
logPoct/wat 5.957 Crippen Calculated Property
McVol 365.280 ml/mol McGowan Calculated Property
Inp [2650.00; 2650.00]   Show Hide
Inp 2650.00 NIST
Inp 2650.00 NIST
Tboil 657.61 K Relay (1.0) Calculated Property
Tfus 313.12 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 [550.98; 1255.15] 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 A3.16140e+01
Coefficient B2.21608e+00
Coefficient C-1.20753e-03
Coefficient D2.14990e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 550.98 J/mol×K 273.00 Calculated Property
Cp,gas 674.00 J/mol×K 353.78 Calculated Property
Cp,gas 784.24 J/mol×K 434.56 Calculated Property
Cp,gas 882.37 J/mol×K 515.33 Calculated Property
Cp,gas 969.09 J/mol×K 596.11 Calculated Property
Cp,gas 1045.07 J/mol×K 676.89 Calculated Property
Cp,gas 1110.98 J/mol×K 757.67 Calculated Property
Cp,gas 1167.51 J/mol×K 838.44 Calculated Property
Cp,gas 1215.34 J/mol×K 919.22 Calculated Property
Cp,gas 1255.15 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)-, 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)-, tridecyl ester.

Sources

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