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

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

InChI
InChI=1S/C20H31NO5/c1-4-5-6-10-13-25-19(22)17(2)21(3)20(23)26-15-14-24-16-18-11-8-7-9-12-18/h7-9,11-12,17H,4-6,10,13-16H2,1-3H3
InChI Key
XOXZBNVLJVABFX-UHFFFAOYSA-N
Formula
C20H31NO5
SMILES
CCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1
Molecular Weight1
365.46
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 51.02 kJ/mol Joback Calculated Property
log10WS -3.23 Relay (1.0) Calculated Property
logPoct/wat 3.784 Crippen Calculated Property
McVol 299.630 ml/mol McGowan Calculated Property
Pc 1268.25 kPa Joback Calculated Property
Inp [2501.00; 2501.00]   Show Hide
Inp 2501.00 NIST
Inp 2501.00 NIST
Tboil 644.98 K Relay (1.0) Calculated Property
Tfus 276.25 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 [435.77; 1005.91] 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 A1.47480e+01
Coefficient B1.78196e+00
Coefficient C-9.11000e-04
Coefficient D1.20200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 435.77 J/mol×K 273.00 Calculated Property
Cp,gas 536.47 J/mol×K 353.78 Calculated Property
Cp,gas 626.94 J/mol×K 434.56 Calculated Property
Cp,gas 707.57 J/mol×K 515.33 Calculated Property
Cp,gas 778.73 J/mol×K 596.11 Calculated Property
Cp,gas 840.81 J/mol×K 676.89 Calculated Property
Cp,gas 894.19 J/mol×K 757.67 Calculated Property
Cp,gas 939.25 J/mol×K 838.44 Calculated Property
Cp,gas 976.36 J/mol×K 919.22 Calculated Property
Cp,gas 1005.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.