Chemical Properties of 3-Cyclohexene-1-methanol (CAS 1679-51-2)

InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2

InChI Key

VEIYJWQZNGASMA-UHFFFAOYSA-N

Formula

C7H12O

SMILES

OCC1CC=CCC1

Molecular Weight¹

112.17

CAS

1679-51-2

Other Names

• 3-Cyclohexene-1-carbinol
• 4-(Hydroxymethyl)cyclohexene
• 1,2,3,6-Tetrahydrobenzyl alcohol
• 1-Hydroxymethyl-3-cyclohexene
• Cyclohex-3-en-1-ylmethanol
• 3-Cyclohexen-1-methanol
• cyclohex-3-ene-1-methanol

• 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).
• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.03	kJ/mol	Joback Calculated Property
ΔvapH°	68.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
logPoct/wat	1.335		Crippen Calculated Property
McVol	100.200	ml/mol	McGowan Calculated Property
Inp	[1106.00; 1106.00]
Inp	1106.00		NIST
Inp	1106.00		NIST
Ip	[1696.00; 1791.00]
Ip	1696.00		NIST
Ip	1791.00		NIST
Tboil	454.85	K	Relay (1.0) Calculated Property
Tfus	269.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[121.89; 352.91]	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			-5.60090e+01
Coefficient B			7.68900e-01
Coefficient C			-4.55680e-04
Coefficient D			9.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.89	J/mol×K	273.00	Calculated Property
Cp,gas	163.22	J/mol×K	353.78	Calculated Property
Cp,gas	199.92	J/mol×K	434.56	Calculated Property
Cp,gas	232.31	J/mol×K	515.33	Calculated Property
Cp,gas	260.69	J/mol×K	596.11	Calculated Property
Cp,gas	285.35	J/mol×K	676.89	Calculated Property
Cp,gas	306.60	J/mol×K	757.67	Calculated Property
Cp,gas	324.74	J/mol×K	838.44	Calculated Property
Cp,gas	340.08	J/mol×K	919.22	Calculated Property
Cp,gas	352.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0579900; 0.0002138]	Pa×s	[237.61; 465.78]	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			-1.42850e+01
Coefficient B			2.71766e+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.			237.61
Temperature range, max.			465.78
η	0.0579900	Pa×s	237.61	Calculated Property
η	0.0192509	Pa×s	262.96	Calculated Property
η	0.0077584	Pa×s	288.32	Calculated Property
η	0.0036216	Pa×s	313.67	Calculated Property
η	0.0018946	Pa×s	339.02	Calculated Property
η	0.0010846	Pa×s	364.37	Calculated Property
η	0.0006677	Pa×s	389.73	Calculated Property
η	0.0004361	Pa×s	415.08	Calculated Property
η	0.0002992	Pa×s	440.43	Calculated Property
η	0.0002138	Pa×s	465.78	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclohexene-1-methanol.

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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