Chemical Properties of L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester

L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester

InChI
InChI=1S/C22H43NO4/c1-8-10-13-19(9-2)16-27-22(25)23(7)20(15-18(5)6)21(24)26-14-11-12-17(3)4/h17-20H,8-16H2,1-7H3
InChI Key
PYKQTWCLZSKDRM-UHFFFAOYSA-N
Formula
C22H43NO4
SMILES
CCCCC(CC)COC(=O)N(C)C(CC(C)C)C(=O)OCCCC(C)C
Molecular Weight1
385.58
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Physical Properties

Property Value Unit Source
ΔfusH° 50.40 kJ/mol Joback Calculated Property
log10WS -5.22 Relay (1.0) Calculated Property
logPoct/wat 5.665 Crippen Calculated Property
McVol 345.700 ml/mol McGowan Calculated Property
Inp [2212.00; 2212.00]   Show Hide
Inp 2212.00 NIST
Inp 2212.00 NIST
Tboil 624.47 K Relay (1.0) Calculated Property
Tfus 226.31 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 [519.11; 1210.73] 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 A1.62890e+01
Coefficient B2.13184e+00
Coefficient C-1.10920e-03
Coefficient D1.71800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 519.11 J/mol×K 273.00 Calculated Property
Cp,gas 639.27 J/mol×K 353.78 Calculated Property
Cp,gas 747.33 J/mol×K 434.56 Calculated Property
Cp,gas 843.84 J/mol×K 515.33 Calculated Property
Cp,gas 929.34 J/mol×K 596.11 Calculated Property
Cp,gas 1004.38 J/mol×K 676.89 Calculated Property
Cp,gas 1069.49 J/mol×K 757.67 Calculated Property
Cp,gas 1125.22 J/mol×K 838.44 Calculated Property
Cp,gas 1172.12 J/mol×K 919.22 Calculated Property
Cp,gas 1210.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, propyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tridecyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, pentyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, butyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isobutyl ester. L-Leucine, N-isobutoxycarbonyl-N-methyl-, dodecyl ester. L-leucine, n-isobutoxycarbonyl-n-methyl-, pentadecyl ester. L-Leucine, N-isobutoxycarbonyl-N-methyl-, octyl ester.

Find more compounds similar to L-Leucine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, isohexyl ester.

Sources

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