Chemical Properties of Cyclohexanol, 1-phenyl-

InChI

InChI=1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2

InChI Key

DTTDXHDYTWQDCS-UHFFFAOYSA-N

Formula

C12H16O

SMILES

OC1(c2ccccc2)CCCCC1

Molecular Weight¹

176.26

Other Names

• 1-Phenyl-1-cyclohexanol
• 1-Phenylcyclohexanol-1
• Benzene, cyclohex-1-yl-1-ol-

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔfH°gas	-153.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.50	kJ/mol	Joback Calculated Property
IE	8.00	eV	NIST
logPoct/wat	2.838		Crippen Calculated Property
McVol	151.190	ml/mol	McGowan Calculated Property
Tboil	537.49	K	Relay (1.0) Calculated Property
Tfus	[333.00; 334.90]	K
Tfus	334.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	333.00 ± 4.00	K	NIST
Tfus	333.00 ± 3.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[173.25; 530.97]	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			-1.52230e+02
Coefficient B			1.51290e+00
Coefficient C			-1.30420e-03
Coefficient D			4.74500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.25	J/mol×K	273.00	Calculated Property
Cp,gas	240.78	J/mol×K	353.78	Calculated Property
Cp,gas	297.86	J/mol×K	434.56	Calculated Property
Cp,gas	346.00	J/mol×K	515.33	Calculated Property
Cp,gas	386.69	J/mol×K	596.11	Calculated Property
Cp,gas	421.44	J/mol×K	676.89	Calculated Property
Cp,gas	451.74	J/mol×K	757.67	Calculated Property
Cp,gas	479.09	J/mol×K	838.44	Calculated Property
Cp,gas	505.00	J/mol×K	919.22	Calculated Property
Cp,gas	530.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 1-phenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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