Chemical Properties of 3,3-dimethylcyclohexanone (CAS 2979-19-3)

InChI

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

InChI Key

ZVJQBBYAVPAFLX-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CC1(C)CCCC(=O)C1

Molecular Weight¹

126.20

CAS

2979-19-3

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[335.12; 474.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49459e+01
Coefficient B			-3.92833e+03
Coefficient C			-6.71260e+01
Temperature range, min.			335.12
Temperature range, max.			474.87
Pvap	1.33	kPa	335.12	Calculated Property
Pvap	2.98	kPa	350.65	Calculated Property
Pvap	6.11	kPa	366.18	Calculated Property
Pvap	11.68	kPa	381.70	Calculated Property
Pvap	21.02	kPa	397.23	Calculated Property
Pvap	35.88	kPa	412.76	Calculated Property
Pvap	58.49	kPa	428.29	Calculated Property
Pvap	91.58	kPa	443.81	Calculated Property
Pvap	138.40	kPa	459.34	Calculated Property
Pvap	202.66	kPa	474.87	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-dimethylcyclohexanone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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