Chemical Properties of L-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptyl ester

L-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptyl ester

InChI
InChI=1S/C20H39NO4/c1-8-9-10-11-12-13-24-18(22)17(14-16(2)3)21(7)19(23)25-15-20(4,5)6/h16-17H,8-15H2,1-7H3
InChI Key
MHFYZIPNTHADMH-UHFFFAOYSA-N
Formula
C20H39NO4
SMILES
CCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)(C)C
Molecular Weight1
357.53
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Physical Properties

Property Value Unit Source
ΔfusH° 44.85 kJ/mol Joback Calculated Property
log10WS -4.92 Relay (1.0) Calculated Property
logPoct/wat 5.029 Crippen Calculated Property
McVol 317.520 ml/mol McGowan Calculated Property
Inp [2097.00; 2097.00]   Show Hide
Inp 2097.00 NIST
Inp 2097.00 NIST
Tboil 605.42 K Relay (1.0) Calculated Property
Tfus 277.79 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 [475.85; 1107.94] 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 A-3.00200e+00
Coefficient B2.05584e+00
Coefficient C-1.16580e-03
Coefficient D2.20900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 475.85 J/mol×K 273.00 Calculated Property
Cp,gas 588.18 J/mol×K 353.78 Calculated Property
Cp,gas 688.35 J/mol×K 434.56 Calculated Property
Cp,gas 777.07 J/mol×K 515.33 Calculated Property
Cp,gas 855.03 J/mol×K 596.11 Calculated Property
Cp,gas 922.94 J/mol×K 676.89 Calculated Property
Cp,gas 981.48 J/mol×K 757.67 Calculated Property
Cp,gas 1031.36 J/mol×K 838.44 Calculated Property
Cp,gas 1073.28 J/mol×K 919.22 Calculated Property
Cp,gas 1107.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Leucine, N-neopentyloxycarbonyl-N-methyl-, octadecyl ester. L-Leucine, N-neopentyloxycarbonyl-N-methyl-, pentadecyl ester. l-Leucine, N-neopentyloxycarbonyl-N-methyl-, hexyl ester. l-Leucine, N-neopentyloxycarbonyl-N-methyl-, octyl ester. l-Leucine, N-neopentyloxycarbonyl-N-methyl-, dodecyl ester. l-Leucine, N-neopentyloxycarbonyl-N-methyl-, nonyl ester. L-Leucine, N-neopentyloxycarbonyl-N-methyl-, hexadecyl ester. l-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptadecyl ester. L-Leucine, N-neopentyloxycarbonyl-N-methyl-, undecyl ester. l-Leucine, N-neopentyloxycarbonyl-N-methyl-, isohexyl ester. L-Leucine, N-isobutoxycarbonyl-N-methyl-, heptyl ester. l-Leucine, N-isobutoxycarbonyl-N-methyl-, hexadecyl ester. L-Leucine, N-isobutoxycarbonyl-N-methyl-, octyl ester. L-leucine, n-isobutoxycarbonyl-n-methyl-, pentadecyl ester. L-Leucine, N-isobutoxycarbonyl-N-methyl-, dodecyl ester.

Find more compounds similar to L-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptyl ester.

Sources

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