Chemical Properties of [1,1'-Bicyclohexyl]-2-one (CAS 90-42-6)

InChI

InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2

InChI Key

UOBQDYFTAJKQAL-UHFFFAOYSA-N

Formula

C12H20O

SMILES

O=C1CCCCC1C1CCCCC1

Molecular Weight¹

180.29

CAS

90-42-6

Other Names

• Cyclohexanone, 2-cyclohexyl-
• Lavamenthe
• 2-Cyclohexylcyclohexanone

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7189.49 ± 0.98	kJ/mol	NIST
ΔfG°	-23.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.00 ± 1.50	kJ/mol	NIST
ΔfH°solid	-391.00 ± 1.40	kJ/mol	NIST
ΔfusH°	10.02	kJ/mol	Joback Calculated Property
ΔvapH°	47.41	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	3.326		Crippen Calculated Property
McVol	159.790	ml/mol	McGowan Calculated Property
Pc	2698.60	kPa	Joback Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
I	1975.00		NIST
Tboil	580.88	K	Joback Calculated Property
Tc	787.00 ± 35.00	K	NIST
Tfus	307.98	K	Joback Calculated Property
Ttriple	277.00 ± 1.00	K	NIST
Vc	0.581	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.54; 553.62]	J/mol×K	[580.88; 828.16]
Cp,gas	428.54	J/mol×K	580.88	Joback Calculated Property
Cp,gas	453.38	J/mol×K	622.09	Joback Calculated Property
Cp,gas	476.60	J/mol×K	663.31	Joback Calculated Property
Cp,gas	498.22	J/mol×K	704.52	Joback Calculated Property
Cp,gas	518.25	J/mol×K	745.73	Joback Calculated Property
Cp,gas	536.71	J/mol×K	786.95	Joback Calculated Property
Cp,gas	553.62	J/mol×K	828.16	Joback Calculated Property
ΔfusH	18.00	kJ/mol	277.00	NIST

Similar Compounds

Find more compounds similar to [1,1'-Bicyclohexyl]-2-one.

Sources

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

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