Chemical Properties of Cyclohexanone, 2,2-dimethyl- (CAS 1193-47-1)

InChI

InChI=1S/C8H14O/c1-8(2)6-4-3-5-7(8)9/h3-6H2,1-2H3

InChI Key

KNSPBSQWRKKAPI-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CC1(C)CCCCC1=O

Molecular Weight¹

126.20

CAS

1193-47-1

Other Names

• 2,2-Dimethyl-1-cyclohexanone
• 2,2-Dimethylcyclohexanone
• 6,6-Dimethylcyclohexanone

• ω : Acentric Factor.
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.36; 336.13]	J/mol×K	[470.05; 700.41]
Cp,gas	247.36	J/mol×K	470.05	Joback Calculated Property
Cp,gas	264.46	J/mol×K	508.44	Joback Calculated Property
Cp,gas	280.52	J/mol×K	546.84	Joback Calculated Property
Cp,gas	295.62	J/mol×K	585.23	Joback Calculated Property
Cp,gas	309.86	J/mol×K	623.62	Joback Calculated Property
Cp,gas	323.33	J/mol×K	662.01	Joback Calculated Property
Cp,gas	336.13	J/mol×K	700.41	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[328.72; 477.21]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42371e+01
Coefficient B			-3.68015e+03
Coefficient C			-6.49020e+01
Temperature range, min.			328.72
Temperature range, max.			477.21
Pvap	1.33	kPa	328.72	Calculated Property
Pvap	3.03	kPa	345.22	Calculated Property
Pvap	6.29	kPa	361.72	Calculated Property
Pvap	12.08	kPa	378.22	Calculated Property
Pvap	21.73	kPa	394.72	Calculated Property
Pvap	36.98	kPa	411.21	Calculated Property
Pvap	59.96	kPa	427.71	Calculated Property
Pvap	93.22	kPa	444.21	Calculated Property
Pvap	139.68	kPa	460.71	Calculated Property
Pvap	202.64	kPa	477.21	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2,2-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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