Chemical Properties of l-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptadecyl ester

l-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptadecyl ester

InChI
InChI=1S/C30H59NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34-28(32)27(24-26(2)3)31(7)29(33)35-25-30(4,5)6/h26-27H,8-25H2,1-7H3
InChI Key
IFBBUSKNSJPIML-UHFFFAOYSA-N
Formula
C30H59NO4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)(C)C
Molecular Weight1
497.79
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Physical Properties

Property Value Unit Source
ΔfusH° 70.75 kJ/mol Joback Calculated Property
log10WS -8.12 Relay (1.0) Calculated Property
logPoct/wat 8.930 Crippen Calculated Property
McVol 458.420 ml/mol McGowan Calculated Property
Inp [3261.00; 3261.00]   Show Hide
Inp 3261.00 NIST
Inp 3261.00 NIST
Tboil 676.64 K Relay (1.0) Calculated Property
Tfus 306.68 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 [687.99; 1623.85] 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-1.20920e+01
Coefficient B3.00584e+00
Coefficient C-1.70980e-03
Coefficient D3.39900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 687.99 J/mol×K 273.00 Calculated Property
Cp,gas 852.36 J/mol×K 353.78 Calculated Property
Cp,gas 999.13 J/mol×K 434.56 Calculated Property
Cp,gas 1129.37 J/mol×K 515.33 Calculated Property
Cp,gas 1244.15 J/mol×K 596.11 Calculated Property
Cp,gas 1344.55 J/mol×K 676.89 Calculated Property
Cp,gas 1431.64 J/mol×K 757.67 Calculated Property
Cp,gas 1506.51 J/mol×K 838.44 Calculated Property
Cp,gas 1570.22 J/mol×K 919.22 Calculated Property
Cp,gas 1623.85 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-, undecyl ester. L-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptyl 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-, heptadecyl ester.

Sources

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