Chemical Properties of 3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester

3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester

InChI
InChI=1S/C20H32O2/c21-19(6-5-15-3-1-2-4-15)22-8-7-20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,1-14H2
InChI Key
YYNSVXZFHKVVBJ-UHFFFAOYSA-N
Formula
C20H32O2
SMILES
O=C(CCC1CCCC1)OCCC12CC3CC(CC(C3)C1)C2
Molecular Weight1
304.47
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Physical Properties

Property Value Unit Source
ΔfusH° 32.94 kJ/mol Joback Calculated Property
logPoct/wat 5.107 Crippen Calculated Property
McVol 256.660 ml/mol McGowan Calculated Property
Inp 2391.00 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 [335.99; 997.53] 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-2.50266e+02
Coefficient B2.68920e+00
Coefficient C-2.18840e-03
Coefficient D7.47000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 335.99 J/mol×K 273.00 Calculated Property
Cp,gas 460.29 J/mol×K 353.78 Calculated Property
Cp,gas 566.39 J/mol×K 434.56 Calculated Property
Cp,gas 656.63 J/mol×K 515.33 Calculated Property
Cp,gas 733.39 J/mol×K 596.11 Calculated Property
Cp,gas 799.02 J/mol×K 676.89 Calculated Property
Cp,gas 855.89 J/mol×K 757.67 Calculated Property
Cp,gas 906.35 J/mol×K 838.44 Calculated Property
Cp,gas 952.78 J/mol×K 919.22 Calculated Property
Cp,gas 997.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 2-(adamant-1-yl)ethyl ethyl ester. Adipic acid, bis(3,3,5-trimethylhexyl) ester. 5-chlorovaleric acid, 2-(1-adamantyl)ethyl ester. 5-Bromovaleric acid, 2-(1-adamantyl)ethyl ester. 3-Cyclopentylpropionic acid, 3-methylbutyl ester. Glutaric acid, 2-(adamant-1-yl)ethyl 2,2-dichloroethyl ester. Pimelic acid, di(3,7-dimethyloctyl) ester. 3-Cyclopentylpropionic acid, decyl ester. 3-Cyclopentylpropionic acid, undecyl ester. 3-Cyclopentylpropionic acid, pentadecyl ester. 3-Cyclopentylpropionic acid, nonyl ester. 3-Cyclopentylpropionic acid, tridecyl ester. 3-Cyclopentylpropionic acid, heptadecyl ester. 3-Cyclopentylpropionic acid, pentyl ester. 3-Cyclopentylpropionic acid, heptyl ester.

Find more compounds similar to 3-Cyclopentylpropionic acid, 2-(1-adamantyl)ethyl ester.

Sources

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