Chemical Properties of 1-Aminocyclopentanecarboxylic acid, N-(propargyloxycarbonyl)-, isohexyl ester

1-Aminocyclopentanecarboxylic acid, N-(propargyloxycarbonyl)-, isohexyl ester

InChI
InChI=1S/C16H25NO4/c1-4-11-21-15(19)17-16(9-5-6-10-16)14(18)20-12-7-8-13(2)3/h1,13H,5-12H2,2-3H3,(H,17,19)
InChI Key
PRERIQGCXHNQOY-UHFFFAOYSA-N
Formula
C16H25NO4
SMILES
C#CCOC(=O)NC1(C(=O)OCCCC(C)C)CCCC1
Molecular Weight1
295.37
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° 38.12 kJ/mol Joback Calculated Property
logPoct/wat 2.638 Crippen Calculated Property
McVol 241.700 ml/mol McGowan Calculated Property
Inp [2007.00; 2007.00]   Show Hide
Inp 2007.00 NIST
Inp 2007.00 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 [345.11; 831.37] 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-6.04260e+01
Coefficient B1.82604e+00
Coefficient C-1.36513e-03
Coefficient D4.30890e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 345.11 J/mol×K 273.00 Calculated Property
Cp,gas 433.81 J/mol×K 353.78 Calculated Property
Cp,gas 510.66 J/mol×K 434.56 Calculated Property
Cp,gas 577.03 J/mol×K 515.33 Calculated Property
Cp,gas 634.27 J/mol×K 596.11 Calculated Property
Cp,gas 683.76 J/mol×K 676.89 Calculated Property
Cp,gas 726.85 J/mol×K 757.67 Calculated Property
Cp,gas 764.91 J/mol×K 838.44 Calculated Property
Cp,gas 799.30 J/mol×K 919.22 Calculated Property
Cp,gas 831.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Aminocyclopentanecarboxylic acid, N-(but-3-yn-1-yloxycarbonyl)-, pentyl ester. 1-Aminocyclopentanecarboxylic acid, N-(isobutoxycarbonyl)-, pentyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2-chloroethoxycarbonyl)-, pentyl ester. 1-Aminocyclopentanecarboxylic acid, N-(hexyloxycarbonyl)-, propyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2-chloroethoxycarbonyl)-, butyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2,2,2-trichloroethoxycarbonyl)-, pentyl ester. 1-Aminocyclopentanecarboxylic acid, N-(but-2-yn-1-yloxycarbonyl)-, propyl ester. 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, pentyl ester. 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, nonyl ester. 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, heptyl ester. 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, undecyl ester. 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, dodecyl ester. 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, octyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2,2,2-trichloroethoxycarbonyl)-, butyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2,2,2-trichloroethoxycarbonyl)-, propyl ester.

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, N-(propargyloxycarbonyl)-, isohexyl 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.