Chemical Properties of CYCLOHEXANOL, 1-METHYL-, ACETATE

InChI

InChI=1S/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H3

InChI Key

VVDZWMOQABVVHC-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CC(=O)OC1(C)CCCCC1

Molecular Weight¹

156.23

Other Names

• 1-Methylcyclohexyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[170.70; 484.16]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.54800e+01
Coefficient B			1.21804e+00
Coefficient C			-9.84800e-04
Coefficient D			3.46400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.70	J/mol×K	273.00	Calculated Property
Cp,gas	227.52	J/mol×K	353.78	Calculated Property
Cp,gas	276.28	J/mol×K	434.56	Calculated Property
Cp,gas	318.09	J/mol×K	515.33	Calculated Property
Cp,gas	354.04	J/mol×K	596.11	Calculated Property
Cp,gas	385.21	J/mol×K	676.89	Calculated Property
Cp,gas	412.72	J/mol×K	757.67	Calculated Property
Cp,gas	437.65	J/mol×K	838.44	Calculated Property
Cp,gas	461.10	J/mol×K	919.22	Calculated Property
Cp,gas	484.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to CYCLOHEXANOL, 1-METHYL-, ACETATE.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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