Chemical Properties of 1,3-Cyclohexanedione, 4,4-dimethyl- (CAS 562-46-9)

InChI

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

InChI Key

PLGPBTCNKJQJHQ-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CC1(C)CCC(=O)CC1=O

Molecular Weight¹

140.18

CAS

562-46-9

• 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).
• 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_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

Property	Value	Unit	Source
ΔcH°solid	-4363.50 ± 1.30	kJ/mol	NIST
ΔfG°	-209.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-400.40 ± 2.70	kJ/mol	NIST
ΔfH°solid	-499.60 ± 1.70	kJ/mol	NIST
ΔfusH°	1.03	kJ/mol	Joback Calculated Property
ΔsubH°	[99.20; 99.20]	kJ/mol
ΔsubH°	99.20 ± 2.10	kJ/mol	NIST
ΔsubH°	99.20 ± 2.10	kJ/mol	NIST
ΔvapH°	41.17	kJ/mol	Joback Calculated Property
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
Tboil	537.87	K	Joback Calculated Property
Tc	785.42	K	Joback Calculated Property
Tfus	347.64	K	Joback Calculated Property
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

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,3-Cyclohexanedione, 4,4-dimethyl-.

Sources

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

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