Chemical Properties of Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, isobutyl ester

Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, isobutyl ester

InChI
InChI=1S/C17H31NO4/c1-12(2)10-21-16(19)15(14-8-6-5-7-9-14)18-17(20)22-11-13(3)4/h12-15H,5-11H2,1-4H3,(H,18,20)
InChI Key
GAZQZONUKNXMQG-UHFFFAOYSA-N
Formula
C17H31NO4
SMILES
CC(C)COC(=O)NC(C(=O)OCC(C)C)C1CCCCC1
Molecular Weight1
313.44
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 -1006.03 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.89 kJ/mol Joback Calculated Property
ΔvapH° 91.17 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.517 Crippen Calculated Property
McVol 264.390 ml/mol McGowan Calculated Property
Pc 1481.57 kPa Joback Calculated Property
Inp [2035.00; 2035.00]   Show Hide
Inp 2035.00 NIST
Inp 2035.00 NIST
Tboil 610.44 K Relay (1.0) Calculated Property
Tc 817.36 K Relay (1.0) Calculated Property
Tfus 319.25 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [375.91; 936.17] 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 A-3.36080e+01
Coefficient B1.72528e+00
Coefficient C-8.51000e-04
Coefficient D9.55000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 375.91 J/mol×K 273.00 Calculated Property
Cp,gas 474.48 J/mol×K 353.78 Calculated Property
Cp,gas 563.26 J/mol×K 434.56 Calculated Property
Cp,gas 642.56 J/mol×K 515.33 Calculated Property
Cp,gas 712.68 J/mol×K 596.11 Calculated Property
Cp,gas 773.92 J/mol×K 676.89 Calculated Property
Cp,gas 826.59 J/mol×K 757.67 Calculated Property
Cp,gas 870.99 J/mol×K 838.44 Calculated Property
Cp,gas 907.41 J/mol×K 919.22 Calculated Property
Cp,gas 936.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, isobutyl ester. Glycine, 2-cyclohexyl-N-(3-chloropropoxycarbonyl)-, isobutyl ester. Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, tridecyl ester. Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, dodecyl ester. Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, undecyl ester. Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, hexadecyl ester. Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, nonyl ester. Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, dodecyl ester. Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, butyl ester. Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, hexyl ester. Glycine, 2-cyclohexyl-N-propoxycarbonyl-, octadecyl ester. Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, pentyl ester. Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, octyl ester. Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, hexyl ester. Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, decyl ester.

Find more compounds similar to Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, isobutyl 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.