Chemical Properties of 1,2-Indandione, 3,3-dimethyl- (CAS 20651-88-1)

InChI

InChI=1S/C11H10O2/c1-11(2)8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,1-2H3

InChI Key

XEBYAZZOVDAJAQ-UHFFFAOYSA-N

Formula

C11H10O2

SMILES

CC1(C)C(=O)C(=O)c2ccccc21

Molecular Weight¹

174.20

CAS

20651-88-1

Other Names

• 1H-Indene-1,2(3H)-dione, 3,3-dimethyl-
• 3,3-Dimethyl-1,2-indanedione

• 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).
• 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
ΔfG°	-45.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.67	kJ/mol	Joback Calculated Property
ΔfusH°	8.75	kJ/mol	Joback Calculated Property
ΔvapH°	50.27	kJ/mol	Joback Calculated Property
IE	[8.50; 8.70]	eV
IE	8.50	eV	NIST
IE	8.70	eV	NIST
log10WS	-2.20		Crippen Calculated Property
logPoct/wat	1.730		Crippen Calculated Property
McVol	134.370	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Tboil	625.36	K	Joback Calculated Property
Tc	884.97	K	Joback Calculated Property
Tfus	430.95	K	Joback Calculated Property
Vc	0.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.74; 418.38]	J/mol×K	[625.36; 884.97]
Cp,gas	338.74	J/mol×K	625.36	Joback Calculated Property
Cp,gas	353.59	J/mol×K	668.63	Joback Calculated Property
Cp,gas	367.62	J/mol×K	711.90	Joback Calculated Property
Cp,gas	380.97	J/mol×K	755.16	Joback Calculated Property
Cp,gas	393.79	J/mol×K	798.43	Joback Calculated Property
Cp,gas	406.21	J/mol×K	841.70	Joback Calculated Property
Cp,gas	418.38	J/mol×K	884.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Indandione, 3,3-dimethyl-.

Sources

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

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