Chemical Properties of Cyclohexanol, 1-(1-hexenyl)-, (E)- (CAS 34678-40-5)

InChI

InChI=1S/C12H22O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h6,9,13H,2-5,7-8,10-11H2,1H3/b9-6+

InChI Key

ICOITBGCXKPDQU-RMKNXTFCSA-N

Formula

C12H22O

SMILES

CCCCC=CC1(O)CCCCC1

Molecular Weight¹

182.30

CAS

34678-40-5

Other Names

• 1-[(1E)-1-Hexenyl]cyclohexanol
• (E)-1-(1-Hexenyl)cyclohexanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-347.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.66	kJ/mol	Joback Calculated Property
ΔvapH°	70.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
logPoct/wat	3.428		Crippen Calculated Property
McVol	170.650	ml/mol	McGowan Calculated Property
Inp	[1447.00; 1447.00]
Inp	1447.00		NIST
Inp	1447.00		NIST
Inp	1447.00		NIST
Tboil	513.10	K	Relay (1.0) Calculated Property
Tc	725.27	K	Relay (1.0) Calculated Property
Tfus	277.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[216.50; 618.91]	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			-1.32507e+02
Coefficient B			1.61182e+00
Coefficient C			-1.35680e-03
Coefficient D			4.96400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.50	J/mol×K	273.00	Calculated Property
Cp,gas	289.88	J/mol×K	353.78	Calculated Property
Cp,gas	352.44	J/mol×K	434.56	Calculated Property
Cp,gas	405.73	J/mol×K	515.33	Calculated Property
Cp,gas	451.33	J/mol×K	596.11	Calculated Property
Cp,gas	490.81	J/mol×K	676.89	Calculated Property
Cp,gas	525.74	J/mol×K	757.67	Calculated Property
Cp,gas	557.69	J/mol×K	838.44	Calculated Property
Cp,gas	588.22	J/mol×K	919.22	Calculated Property
Cp,gas	618.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 1-(1-hexenyl)-, (E)-.

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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