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

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

InChI
InChI=1S/C27H45NO5/c1-4-5-6-7-8-9-10-11-12-13-17-20-32-26(29)24(2)28(3)27(30)33-22-21-31-23-25-18-15-14-16-19-25/h14-16,18-19,24H,4-13,17,20-23H2,1-3H3
InChI Key
OJZZVKJDHYTLQJ-UHFFFAOYSA-N
Formula
C27H45NO5
SMILES
CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1
Molecular Weight1
463.66
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Physical Properties

Property Value Unit Source
ΔfusH° 69.15 kJ/mol Joback Calculated Property
log10WS -5.71 Relay (1.0) Calculated Property
logPoct/wat 6.514 Crippen Calculated Property
McVol 398.260 ml/mol McGowan Calculated Property
Pc 825.74 kPa Joback Calculated Property
Inp [3184.00; 3184.00]   Show Hide
Inp 3184.00 NIST
Inp 3184.00 NIST
Tboil 693.00 K Relay (1.0) Calculated Property
Tfus 295.44 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 [584.27; 1367.04] 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 A8.38500e+00
Coefficient B2.44696e+00
Coefficient C-1.29180e-03
Coefficient D2.03500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 584.27 J/mol×K 273.00 Calculated Property
Cp,gas 721.40 J/mol×K 353.78 Calculated Property
Cp,gas 844.48 J/mol×K 434.56 Calculated Property
Cp,gas 954.17 J/mol×K 515.33 Calculated Property
Cp,gas 1051.11 J/mol×K 596.11 Calculated Property
Cp,gas 1135.94 J/mol×K 676.89 Calculated Property
Cp,gas 1209.31 J/mol×K 757.67 Calculated Property
Cp,gas 1271.85 J/mol×K 838.44 Calculated Property
Cp,gas 1324.21 J/mol×K 919.22 Calculated Property
Cp,gas 1367.04 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)-, octyl ester. DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, undecyl 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)-, decyl 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)-, dodecyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, nonyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, octyl ester. L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, undecyl 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)-, tridecyl ester.

Sources

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