Chemical Properties of DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, octyl ester

DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, octyl ester

InChI
InChI=1S/C22H35NO5/c1-4-5-6-7-8-12-15-27-21(24)19(2)23(3)22(25)28-17-16-26-18-20-13-10-9-11-14-20/h9-11,13-14,19H,4-8,12,15-18H2,1-3H3
InChI Key
UZVZALCXDBSKSZ-UHFFFAOYSA-N
Formula
C22H35NO5
SMILES
CCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1
Molecular Weight1
393.52
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Physical Properties

Property Value Unit Source
ΔfusH° 56.20 kJ/mol Joback Calculated Property
log10WS -3.99 Relay (1.0) Calculated Property
logPoct/wat 4.564 Crippen Calculated Property
McVol 327.810 ml/mol McGowan Calculated Property
Pc 1111.11 kPa Joback Calculated Property
Inp [2690.00; 2690.00]   Show Hide
Inp 2690.00 NIST
Inp 2690.00 NIST
Tboil 659.05 K Relay (1.0) Calculated Property
Tfus 282.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [478.20; 1109.09] 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 A1.29300e+01
Coefficient B1.97196e+00
Coefficient C-1.01980e-03
Coefficient D1.44000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 478.20 J/mol×K 273.00 Calculated Property
Cp,gas 589.30 J/mol×K 353.78 Calculated Property
Cp,gas 689.10 J/mol×K 434.56 Calculated Property
Cp,gas 778.03 J/mol×K 515.33 Calculated Property
Cp,gas 856.56 J/mol×K 596.11 Calculated Property
Cp,gas 925.14 J/mol×K 676.89 Calculated Property
Cp,gas 984.23 J/mol×K 757.67 Calculated Property
Cp,gas 1034.28 J/mol×K 838.44 Calculated Property
Cp,gas 1075.75 J/mol×K 919.22 Calculated Property
Cp,gas 1109.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, tridecyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, hexyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, pentyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, butyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, nonyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, undecyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, octyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, dodecyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, isobutyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, octyl ester.

Sources

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