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 : 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
I	[1696.00; 1791.00]
I	1696.00		NIST
I	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.91; 282.06]	J/mol×K	[470.65; 665.41]
Cp,gas	214.91	J/mol×K	470.65	Joback Calculated Property
Cp,gas	227.68	J/mol×K	503.11	Joback Calculated Property
Cp,gas	239.79	J/mol×K	535.57	Joback Calculated Property
Cp,gas	251.26	J/mol×K	568.03	Joback Calculated Property
Cp,gas	262.12	J/mol×K	600.49	Joback Calculated Property
Cp,gas	272.38	J/mol×K	632.95	Joback Calculated Property
Cp,gas	282.06	J/mol×K	665.41	Joback Calculated Property
η	[0.0002013; 0.0579900]	Pa×s	[237.61; 470.65]
η	0.0579900	Pa×s	237.61	Joback Calculated Property
η	0.0116273	Pa×s	276.45	Joback Calculated Property
η	0.0034637	Pa×s	315.29	Joback Calculated Property
η	0.0013458	Pa×s	354.13	Joback Calculated Property
η	0.0006303	Pa×s	392.97	Joback Calculated Property
η	0.0003384	Pa×s	431.81	Joback Calculated Property
η	0.0002013	Pa×s	470.65	Joback 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

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.
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