Chemical Properties of 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl- (CAS 933-52-8)

InChI

InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3

InChI Key

RGCDVHNITQEYPO-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

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

Molecular Weight¹

140.18

CAS

933-52-8

Other Names

• Tetramethyl-1,3-cyclobutanedione
• Tetramethylcyclobuta-1,3-dione
• 1,1,3,3-Tetramethylcyclobutanedione
• 2,2,4,4-Tetramethyl-1,3-cyclobutanedione
• 2,2,4,4-Tetramethylcyclobutanedione
• 2,2,4,4-Tetramethyl cyclobutane-1,3-dione
• tetramethylcyclobutane-1,3-dione

• 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).
• 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	-4483.20 ± 1.40	kJ/mol	NIST
ΔfG°	-198.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.70 ± 1.60	kJ/mol	NIST
ΔfH°solid	-379.90 ± 1.50	kJ/mol	NIST
ΔfusH°	0.01	kJ/mol	Joback Calculated Property
ΔsubH°	72.20 ± 0.60	kJ/mol	NIST
ΔvapH°	39.37	kJ/mol	Joback Calculated Property
IE	[8.80; 9.00]	eV
IE	9.00 ± 0.02	eV	NIST
IE	8.80	eV	NIST
IE	8.80	eV	NIST
log10WS	-1.14		Crippen Calculated Property
logPoct/wat	1.191		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3443.98	kPa	Joback Calculated Property
Tboil	524.90	K	Joback Calculated Property
Tc	764.54	K	Joback Calculated Property
Tfus	374.34	K	Joback Calculated Property
Vc	0.442	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.66; 354.08]	J/mol×K	[524.90; 764.54]
Cp,gas	276.66	J/mol×K	524.90	Joback Calculated Property
Cp,gas	291.07	J/mol×K	564.84	Joback Calculated Property
Cp,gas	304.62	J/mol×K	604.78	Joback Calculated Property
Cp,gas	317.51	J/mol×K	644.72	Joback Calculated Property
Cp,gas	329.93	J/mol×K	684.66	Joback Calculated Property
Cp,gas	342.06	J/mol×K	724.60	Joback Calculated Property
Cp,gas	354.08	J/mol×K	764.54	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-.

Sources

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

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