Chemical Properties of 1-Cyclohexene-1-methanol (CAS 4845-04-9)

InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2

InChI Key

QBJOHGAEIAUULA-UHFFFAOYSA-N

Formula

C7H12O

SMILES

OCC1=CCCCC1

Molecular Weight¹

112.17

CAS

4845-04-9

Other Names

• 1-Hydroxymethylcyclohexene
• 3-Methoxycyclohexene
• 3-Methoxycyclohexene-1
• 1-Cyclohexen-1-methanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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	[122.17; 343.21]	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			-4.76490e+01
Coefficient B			7.35900e-01
Coefficient C			-4.44040e-04
Coefficient D			9.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	122.17	J/mol×K	273.00	Calculated Property
Cp,gas	161.50	J/mol×K	353.78	Calculated Property
Cp,gas	196.41	J/mol×K	434.56	Calculated Property
Cp,gas	227.21	J/mol×K	515.33	Calculated Property
Cp,gas	254.21	J/mol×K	596.11	Calculated Property
Cp,gas	277.73	J/mol×K	676.89	Calculated Property
Cp,gas	298.07	J/mol×K	757.67	Calculated Property
Cp,gas	315.56	J/mol×K	838.44	Calculated Property
Cp,gas	330.50	J/mol×K	919.22	Calculated Property
Cp,gas	343.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0382405; 0.0001903]	Pa×s	[254.37; 473.62]	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			-1.47200e+01
Coefficient B			2.91409e+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.			254.37
Temperature range, max.			473.62
η	0.0382405	Pa×s	254.37	Calculated Property
η	0.0140503	Pa×s	278.73	Calculated Property
η	0.0060638	Pa×s	303.09	Calculated Property
η	0.0029656	Pa×s	327.45	Calculated Property
η	0.0016014	Pa×s	351.81	Calculated Property
η	0.0009365	Pa×s	376.17	Calculated Property
η	0.0005847	Pa×s	400.53	Calculated Property
η	0.0003853	Pa×s	424.90	Calculated Property
η	0.0002656	Pa×s	449.26	Calculated Property
η	0.0001903	Pa×s	473.62	Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-methanol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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