Chemical Properties of Cyclohexanecarboxylic acid, 4-methoxy-, hex-4-yn-3-yl ester

Cyclohexanecarboxylic acid, 4-methoxy-, hex-4-yn-3-yl ester

InChI
InChI=1S/C14H22O3/c1-4-6-12(5-2)17-14(15)11-7-9-13(16-3)10-8-11/h11-13H,5,7-10H2,1-3H3
InChI Key
OEUKEWKCXLFYRX-UHFFFAOYSA-N
Formula
C14H22O3
SMILES
CC#CC(CC)OC(=O)C1CCC(OC)CC1
Molecular Weight1
238.33
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Physical Properties

Property Value Unit Source
ΔfusH° 30.08 kJ/mol Joback Calculated Property
logPoct/wat 2.537 Crippen Calculated Property
McVol 201.970 ml/mol McGowan Calculated Property
Inp [1709.00; 1709.00]   Show Hide
Inp 1709.00 NIST
Inp 1709.00 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 [281.15; 699.36] 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-2.71900e+00
Coefficient B1.16756e+00
Coefficient C-4.68860e-04
Coefficient D3.38000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 281.15 J/mol×K 273.00 Calculated Property
Cp,gas 351.81 J/mol×K 353.78 Calculated Property
Cp,gas 416.39 J/mol×K 434.56 Calculated Property
Cp,gas 474.91 J/mol×K 515.33 Calculated Property
Cp,gas 527.38 J/mol×K 596.11 Calculated Property
Cp,gas 573.82 J/mol×K 676.89 Calculated Property
Cp,gas 614.22 J/mol×K 757.67 Calculated Property
Cp,gas 648.60 J/mol×K 838.44 Calculated Property
Cp,gas 676.98 J/mol×K 919.22 Calculated Property
Cp,gas 699.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cyclohexanecarboxylic acid, 4-methoxy-, 2-methyloct-5-yn-4-yl ester. Cyclohexanecarboxylic acid, 4-methoxy-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Cyclohexanecarboxylic acid, 4-methoxy-, tridec-2-yn-1-yl ester. Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester. Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester. Glutaric acid, cyclohexylmethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, 4-methyl-2-pentyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, propyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, hexadecyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, tridecyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, pentyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, heptyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, nonyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, octyl ester.

Find more compounds similar to Cyclohexanecarboxylic acid, 4-methoxy-, hex-4-yn-3-yl ester.

Sources

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