Chemical Properties of L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester

L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester

InChI
InChI=1S/C26H47NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-30-25(28)24(22-23(3)4)27(5)26(29)31-20-9-7-2/h2,23-24H,6,8-22H2,1,3-5H3/t24-/m0/s1
InChI Key
QMBQLQVVILWYOI-DEOSSOPVSA-N
Formula
C26H47NO4
SMILES
C#CCCOC(=O)N(C)[C@@H](CC(C)C)C(=O)OCCCCCCCCCCCCCC
Molecular Weight1
437.66
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Physical Properties

Property Value Unit Source
ΔfusH° 70.78 kJ/mol Joback Calculated Property
log10WS -6.55 Relay (1.0) Calculated Property
logPoct/wat 6.737 Crippen Calculated Property
McVol 393.460 ml/mol McGowan Calculated Property
Inp [2733.00; 2733.00]   Show Hide
Inp 2733.00 NIST
Inp 2733.00 NIST
Tboil 683.53 K Relay (1.0) Calculated Property
Tfus 307.26 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

L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, decyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, undecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, nonyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, heptadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, octadecyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, hexyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, pentyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, isohexyl ester. L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, butyl ester. l-Leucine, N-methyl-n-propoxycarbonyl-, heptadecyl ester. l-Leucine, N-methyl-n-propoxycarbonyl-, octadecyl ester. L-Leucine, N-methyl-N-(hexyloxycarbonyl)-, heptyl ester.

Find more compounds similar to L-Leucine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester.

Sources

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