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
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Physical Properties

Property Value Unit Source
ΔfusH° 70.21 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 328.82 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1392.86; 1492.99] J/mol×K [971.42; 1194.42] Show Hide
Cp,gas 1392.86 J/mol×K 971.42 Joback Calculated Property
Cp,gas 1413.33 J/mol×K 1008.59 Joback Calculated Property
Cp,gas 1432.19 J/mol×K 1045.75 Joback Calculated Property
Cp,gas 1449.51 J/mol×K 1082.92 Joback Calculated Property
Cp,gas 1465.37 J/mol×K 1120.08 Joback Calculated Property
Cp,gas 1479.84 J/mol×K 1157.25 Joback Calculated Property
Cp,gas 1492.99 J/mol×K 1194.42 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexadecyl ester.

Sources

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