Chemical Properties of 3-Cyclopentylpropionic acid, 1-adamantylmethyl ester

3-Cyclopentylpropionic acid, 1-adamantylmethyl ester

InChI
InChI=1S/C19H30O2/c20-18(6-5-14-3-1-2-4-14)21-13-19-10-15-7-16(11-19)9-17(8-15)12-19/h14-17H,1-13H2
InChI Key
HTFKCXOAQAOCKI-UHFFFAOYSA-N
Formula
C19H30O2
SMILES
O=C(CCC1CCCC1)OCC12CC3CC(CC(C3)C1)C2
Molecular Weight1
290.44
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
ΔfusH° 30.35 kJ/mol Joback Calculated Property
logPoct/wat 4.716 Crippen Calculated Property
McVol 242.570 ml/mol McGowan Calculated Property
Inp 2263.40 NIST
Tboil 643.51 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [314.77; 945.94] 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-2.49357e+02
Coefficient B2.59420e+00
Coefficient C-2.13400e-03
Coefficient D7.35100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 314.77 J/mol×K 273.00 Calculated Property
Cp,gas 433.87 J/mol×K 353.78 Calculated Property
Cp,gas 535.31 J/mol×K 434.56 Calculated Property
Cp,gas 621.40 J/mol×K 515.33 Calculated Property
Cp,gas 694.47 J/mol×K 596.11 Calculated Property
Cp,gas 756.86 J/mol×K 676.89 Calculated Property
Cp,gas 810.87 J/mol×K 757.67 Calculated Property
Cp,gas 858.84 J/mol×K 838.44 Calculated Property
Cp,gas 903.09 J/mol×K 919.22 Calculated Property
Cp,gas 945.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, di((adamant-1-yl)methyl) ester. Azelaic acid, bis(2,2,4-trimethyl pentyl) ester. 5-Bromovaleric acid, 1-adamantylmethyl ester. 5-Chlorovaleric acid, 1-adamantylmethyl ester. 2-Oxacholest-3-one. Succinic acid, (adamant-1-yl)methyl cyclohexylmethyl ester. Succinic acid, (adamant-1-yl)methyl 2-ethylhexyl ester. Glutaric acid, 2-(adamant-1-yl)ethyl cyclohexylmethyl ester. 3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester. 3-Cyclopentylpropionic acid, 2-methylpentyl ester. Glutaric acid, 2-ethylhexyl 2,4,4-trimethylpentyl ester. Glutaric acid, cyclohexylmethyl 2,4,4-trimethylpentyl ester. Glutaric acid, cyclohexylmethyl neopentyl ester. Glutaric acid, 2-(adamant-1-yl)ethyl 2-ethylhexyl ester. 2-Ethylhexyl tridecanoate.

Find more compounds similar to 3-Cyclopentylpropionic acid, 1-adamantylmethyl 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.