Chemical Properties of DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, tetradecyl ester

DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, tetradecyl ester

InChI
InChI=1S/C25H45NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26(5)25(28)30-20-9-7-2/h22-23H,6,8,10-21H2,1-5H3
InChI Key
VIZSKYRDLIXXEH-UHFFFAOYSA-N
Formula
C25H45NO4
SMILES
CC#CCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCCC)C(C)C
Molecular Weight1
423.64
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Physical Properties

Property Value Unit Source
ΔfusH° 68.34 kJ/mol Joback Calculated Property
log10WS -6.35 Relay (1.0) Calculated Property
logPoct/wat 6.347 Crippen Calculated Property
McVol 379.370 ml/mol McGowan Calculated Property
Inp [2840.00; 2840.00]   Show Hide
Inp 2840.00 NIST
Inp 2840.00 NIST
Tboil 636.80 K Relay (1.0) Calculated Property
Tfus 317.14 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 [566.48; 1303.30] 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 A3.44840e+01
Coefficient B2.25520e+00
Coefficient C-1.17386e-03
Coefficient D1.87480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 566.48 J/mol×K 273.00 Calculated Property
Cp,gas 693.71 J/mol×K 353.78 Calculated Property
Cp,gas 808.21 J/mol×K 434.56 Calculated Property
Cp,gas 910.58 J/mol×K 515.33 Calculated Property
Cp,gas 1001.42 J/mol×K 596.11 Calculated Property
Cp,gas 1081.31 J/mol×K 676.89 Calculated Property
Cp,gas 1150.85 J/mol×K 757.67 Calculated Property
Cp,gas 1210.64 J/mol×K 838.44 Calculated Property
Cp,gas 1261.26 J/mol×K 919.22 Calculated Property
Cp,gas 1303.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, undecyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, decyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, tridecyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, pentadecyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, nonyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, heptyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, dodecyl ester. DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, octyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, tridecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, heptyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, undecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, pentyl ester. DL-Valine, N-methyl-N-decyloxycarbonyl-, pentadecyl ester. DL-Valine, N-methyl-N-hexyloxycarbonyl-, octyl ester. DL-Valine, N-methyl-N-octyloxycarbonyl-, octyl ester.

Find more compounds similar to DL-Valine, N-methyl-N-(but-2-yn-1-yloxycarbonyl)-, tetradecyl ester.

Sources

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