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

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

InChI
InChI=1S/C28H55NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-26(30)25(22-24(2)3)29(7)27(31)33-23-28(4,5)6/h24-25H,8-23H2,1-7H3
InChI Key
GAVPSZMEXLQUAX-UHFFFAOYSA-N
Formula
C28H55NO4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)(C)C
Molecular Weight1
469.75
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Physical Properties

Property Value Unit Source
ΔfusH° 65.58 kJ/mol Joback Calculated Property
log10WS -7.50 Relay (1.0) Calculated Property
logPoct/wat 8.150 Crippen Calculated Property
McVol 430.240 ml/mol McGowan Calculated Property
Inp [2921.00; 2921.00]   Show Hide
Inp 2921.00 NIST
Inp 2921.00 NIST
Tboil 663.10 K Relay (1.0) Calculated Property
Tfus 302.13 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 [645.56; 1520.67] 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-1.02740e+01
Coefficient B2.81584e+00
Coefficient C-1.60100e-03
Coefficient D3.16100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 645.56 J/mol×K 273.00 Calculated Property
Cp,gas 799.52 J/mol×K 353.78 Calculated Property
Cp,gas 936.97 J/mol×K 434.56 Calculated Property
Cp,gas 1058.91 J/mol×K 515.33 Calculated Property
Cp,gas 1166.33 J/mol×K 596.11 Calculated Property
Cp,gas 1260.23 J/mol×K 676.89 Calculated Property
Cp,gas 1341.61 J/mol×K 757.67 Calculated Property
Cp,gas 1411.48 J/mol×K 838.44 Calculated Property
Cp,gas 1470.83 J/mol×K 919.22 Calculated Property
Cp,gas 1520.67 J/mol×K 1000.00 Calculated Property

Similar Compounds

l-Leucine, N-neopentyloxycarbonyl-N-methyl-, octadecyl 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-, 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-, pentadecyl ester.

Sources

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