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

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

InChI
InChI=1S/C26H51NO4/c1-6-9-11-12-13-14-15-16-17-18-19-21-30-25(28)23(4)27(5)26(29)31-22-24(8-3)20-10-7-2/h23-24H,6-22H2,1-5H3
InChI Key
NUTRIROHNPYOCK-UHFFFAOYSA-N
Formula
C26H51NO4
SMILES
CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCC(CC)CCCC
Molecular Weight1
441.69
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
ΔfH°gas -1168.55 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 67.81 kJ/mol Joback Calculated Property
ΔvapH° 124.60 kJ/mol Relay (1.0) Calculated Property
log10WS -6.59 Relay (1.0) Calculated Property
logPoct/wat 7.514 Crippen Calculated Property
McVol 402.060 ml/mol McGowan Calculated Property
Pc 734.42 kPa Joback Calculated Property
Inp [2781.00; 2781.00]   Show Hide
Inp 2781.00 NIST
Inp 2781.00 NIST
Tboil 649.80 K Relay (1.0) Calculated Property
Tfus 266.21 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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 [604.59; 1416.02] 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 A1.60170e+01
Coefficient B2.50000e+00
Coefficient C-1.32040e-03
Coefficient D2.20400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 604.59 J/mol×K 273.00 Calculated Property
Cp,gas 744.96 J/mol×K 353.78 Calculated Property
Cp,gas 871.15 J/mol×K 434.56 Calculated Property
Cp,gas 983.86 J/mol×K 515.33 Calculated Property
Cp,gas 1083.78 J/mol×K 596.11 Calculated Property
Cp,gas 1171.61 J/mol×K 676.89 Calculated Property
Cp,gas 1248.06 J/mol×K 757.67 Calculated Property
Cp,gas 1313.81 J/mol×K 838.44 Calculated Property
Cp,gas 1369.56 J/mol×K 919.22 Calculated Property
Cp,gas 1416.02 J/mol×K 1000.00 Calculated Property

Similar Compounds

DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, pentadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, undecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, heptadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, hexadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, dodecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octadecyl ester. DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, 2-ethylhexyl ester. DL-Alanine, N-methyl-N-decyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-hexyloxycarbonyl-, isobutyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, heptyl ester. DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, octyl ester.

Find more compounds similar to DL-Alanine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tridecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.