Chemical Properties of 1-Phenylcyclohexanol (CAS 1589-60-2)

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

176.25

CAS

1589-60-2

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	44.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-137.15	kJ/mol	Joback Calculated Property
ΔfusH°	10.50	kJ/mol	Joback Calculated Property
ΔvapH°	60.54	kJ/mol	Joback Calculated Property
IE	8.00	eV	NIST
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	2.838		Crippen Calculated Property
McVol	151.190	ml/mol	McGowan Calculated Property
Pc	3472.45	kPa	Joback Calculated Property
Tboil	612.61	K	Joback Calculated Property
Tc	842.12	K	Joback Calculated Property
Tfus	[333.00; 333.00]	K
Tfus	333.00 ± 4.00	K	NIST
Tfus	333.00 ± 3.00	K	NIST
Vc	0.549	m3/kmol	Joback Calculated Property

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 1-Phenylcyclohexanol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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