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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-184.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.75	kJ/mol	Joback Calculated Property
IE	[8.50; 8.70]	eV
IE	8.50	eV	NIST
IE	8.70	eV	NIST
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	1.730		Crippen Calculated Property
McVol	134.370	ml/mol	McGowan Calculated Property
Tboil	528.89	K	Relay (1.0) Calculated Property
Tfus	387.39	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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