Chemical Properties of 2-METHYLENECYCLOHEXANOL

InChI

InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h7-8H,1-5H2

InChI Key

GTAPKXQXCYRLRG-UHFFFAOYSA-N

Formula

C7H12O

SMILES

C=C1CCCCC1O

Molecular Weight¹

112.17

Other Names

• 1-hydroxy-2-methylenecyclohexane
• Cyclohexanol, 2-methylene-

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[124.87; 352.30]	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			-4.15000e+01
Coefficient B			7.07400e-01
Coefficient C			-3.76000e-04
Coefficient D			6.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.87	J/mol×K	273.00	Calculated Property
Cp,gas	164.47	J/mol×K	353.78	Calculated Property
Cp,gas	200.02	J/mol×K	434.56	Calculated Property
Cp,gas	231.73	J/mol×K	515.33	Calculated Property
Cp,gas	259.80	J/mol×K	596.11	Calculated Property
Cp,gas	284.41	J/mol×K	676.89	Calculated Property
Cp,gas	305.77	J/mol×K	757.67	Calculated Property
Cp,gas	324.07	J/mol×K	838.44	Calculated Property
Cp,gas	339.52	J/mol×K	919.22	Calculated Property
Cp,gas	352.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0306389; 0.0002266]	Pa×s	[250.53; 465.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.41070e+01
Coefficient B			2.66100e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			250.53
Temperature range, max.			465.65
η	0.0306389	Pa×s	250.53	Calculated Property
η	0.0121479	Pa×s	274.43	Calculated Property
η	0.0055861	Pa×s	298.34	Calculated Property
η	0.0028825	Pa×s	322.24	Calculated Property
η	0.0016297	Pa×s	346.14	Calculated Property
η	0.0009919	Pa×s	370.04	Calculated Property
η	0.0006412	Pa×s	393.95	Calculated Property
η	0.0004357	Pa×s	417.85	Calculated Property
η	0.0003087	Pa×s	441.75	Calculated Property
η	0.0002266	Pa×s	465.65	Calculated Property

Similar Compounds

Find more compounds similar to 2-METHYLENECYCLOHEXANOL.

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

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