Chemical Properties of 1,3-Cyclohexanedione, 5,5-dimethyl- (CAS 126-81-8)

InChI

InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

InChI Key

BADXJIPKFRBFOT-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CC1(C)CC(=O)CC(=O)C1

Molecular Weight¹

140.18

CAS

126-81-8

Other Names

• Cyclomethone
• Dimedon
• Dimedone
• Lu 274
• Medon
• Methon
• Methone
• 1,1-Dimethyl-3,5-cyclohexanedione
• 1,1-Dimethyl-3,5-diketocyclohexane
• 5,5-Dimethyl-1,3-cyclohexanedione
• 5,5-Dimethyldihydroresorcinol
• 5,5-Dimethylhydroresorcinol
• 5,5-Dimethylcyclohexane-1,3-dione
• 5,5-Dimethyl-1,3-cyclohexadione
• 5,5-Dimethyl-1,3-dihydroresorcinol
• NSC 14984

• 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_subH° : Enthalpy of sublimation 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).
• 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

Property	Value	Unit	Source
ΔcH°solid	-4379.70 ± 1.20	kJ/mol	NIST
ΔfG°	-209.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.60 ± 1.90	kJ/mol	NIST
ΔfH°solid	-483.40 ± 1.60	kJ/mol	NIST
ΔfusH°	1.03	kJ/mol	Joback Calculated Property
ΔsubH°	[99.80; 99.80]	kJ/mol
ΔsubH°	99.80 ± 1.10	kJ/mol	NIST
ΔsubH°	99.80 ± 1.10	kJ/mol	NIST
ΔvapH°	41.17	kJ/mol	Joback Calculated Property
IE	9.28 ± 0.05	eV	NIST
log10WS	-1.38		Crippen Calculated Property
logPoct/wat	1.335		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3602.88	kPa	Joback Calculated Property
Inp	[1101.00; 1176.00]
Inp	1101.00		NIST
Inp	1176.00		NIST
Inp	1176.00		NIST
Inp	1101.00		NIST
Tboil	537.87	K	Joback Calculated Property
Tc	785.42	K	Joback Calculated Property
Tfus	421.40 ± 3.00	K	NIST
Vc	0.428	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.77; 362.57]	J/mol×K	[537.87; 785.42]
Cp,gas	275.77	J/mol×K	537.87	Joback Calculated Property
Cp,gas	292.13	J/mol×K	579.13	Joback Calculated Property
Cp,gas	307.63	J/mol×K	620.39	Joback Calculated Property
Cp,gas	322.36	J/mol×K	661.64	Joback Calculated Property
Cp,gas	336.38	J/mol×K	702.90	Joback Calculated Property
Cp,gas	349.76	J/mol×K	744.16	Joback Calculated Property
Cp,gas	362.57	J/mol×K	785.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexanedione, 5,5-dimethyl-.

Sources

• 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.