Chemical Properties of Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tridecyl ester

Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, tridecyl ester

InChI
InChI=1S/C26H45NO4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-25(28)24(23-19-16-15-17-20-23)27-26(29)31-21-6-4-2/h2,23-24H,3,5-22H2,1H3,(H,27,29)
InChI Key
FRFRBYBCDDNNQD-UHFFFAOYSA-N
Formula
C26H45NO4
SMILES
C#CCCOC(=O)NC(C(=O)OCCCCCCCCCCCCC)C1CCCCC1
Molecular Weight1
435.65
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° 68.22 kJ/mol Joback Calculated Property
logPoct/wat 6.539 Crippen Calculated Property
McVol 382.600 ml/mol McGowan Calculated Property
Inp [3000.00; 3000.00]   Show Hide
Inp 3000.00 NIST
Inp 3000.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [556.28; 1341.73] 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-2.46460e+01
Coefficient B2.47452e+00
Coefficient C-1.33013e-03
Coefficient D2.21990e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 556.28 J/mol×K 273.00 Calculated Property
Cp,gas 694.14 J/mol×K 353.78 Calculated Property
Cp,gas 817.71 J/mol×K 434.56 Calculated Property
Cp,gas 927.70 J/mol×K 515.33 Calculated Property
Cp,gas 1024.81 J/mol×K 596.11 Calculated Property
Cp,gas 1109.74 J/mol×K 676.89 Calculated Property
Cp,gas 1183.20 J/mol×K 757.67 Calculated Property
Cp,gas 1245.88 J/mol×K 838.44 Calculated Property
Cp,gas 1298.49 J/mol×K 919.22 Calculated Property
Cp,gas 1341.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, heptyl ester. Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, dodecyl ester. Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, octyl ester. Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, undecyl ester. Glycine, 2-cyclohexyl-N-propoxycarbonyl-, heptadecyl ester. Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, octyl ester. Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, hexyl ester. Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, decyl ester. Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, pentyl ester. Glycine, 2-cyclohexyl-N-decyloxycarbonyl-, hexyl ester. Glycine, 2-cyclohexyl-N-propoxycarbonyl-, octadecyl ester. Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, butyl ester. Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, isohexyl ester. Glycine, 2-cyclohexyl-N-ethoxycarbonyl-, pentadecyl ester. Glycine, 2-cyclohexyl-N-ethoxycarbonyl-, tetradecyl ester.

Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-3-yn-1-yl)oxycarbonyl-, 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.
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.