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

• Cyclohexanol, 1-phenyl-
• 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; 333.00]	K
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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.22; 480.29]	J/mol×K	[612.61; 842.12]
Cp,gas	394.22	J/mol×K	612.61	Joback Calculated Property
Cp,gas	410.80	J/mol×K	650.86	Joback Calculated Property
Cp,gas	426.27	J/mol×K	689.11	Joback Calculated Property
Cp,gas	440.80	J/mol×K	727.36	Joback Calculated Property
Cp,gas	454.54	J/mol×K	765.61	Joback Calculated Property
Cp,gas	467.65	J/mol×K	803.87	Joback Calculated Property
Cp,gas	480.29	J/mol×K	842.12	Joback Calculated Property

Similar Compounds

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

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.