Chemical Properties of 1H-Inden-1-one, 2,3-dihydro-3,3,5,6-tetramethyl- (CAS 54789-22-9)

InChI

InChI=1S/C13H16O/c1-8-5-10-11(6-9(8)2)13(3,4)7-12(10)14/h5-6H,7H2,1-4H3

InChI Key

BXABKFVJTUQBMS-UHFFFAOYSA-N

Formula

C13H16O

SMILES

Cc1cc2c(cc1C)C(C)(C)CC2=O

Molecular Weight¹

188.27

CAS

54789-22-9

Other Names

• 3,3,5,6-Tetramethyl-1-indanone

• 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).
• 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
ΔfG°	74.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-159.19	kJ/mol	Joback Calculated Property
ΔfusH°	13.65	kJ/mol	Joback Calculated Property
ΔvapH°	51.80	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	3.167		Crippen Calculated Property
McVol	160.980	ml/mol	McGowan Calculated Property
Pc	2576.72	kPa	Joback Calculated Property
Inp	[1555.00; 1555.00]
Inp	1555.00		NIST
Inp	1555.00		NIST
Tboil	613.26	K	Joback Calculated Property
Tc	850.84	K	Joback Calculated Property
Tfus	410.31	K	Joback Calculated Property
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.36; 498.04]	J/mol×K	[613.26; 850.84]
Cp,gas	409.36	J/mol×K	613.26	Joback Calculated Property
Cp,gas	425.87	J/mol×K	652.86	Joback Calculated Property
Cp,gas	441.50	J/mol×K	692.45	Joback Calculated Property
Cp,gas	456.39	J/mol×K	732.05	Joback Calculated Property
Cp,gas	470.68	J/mol×K	771.65	Joback Calculated Property
Cp,gas	484.52	J/mol×K	811.25	Joback Calculated Property
Cp,gas	498.04	J/mol×K	850.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Inden-1-one, 2,3-dihydro-3,3,5,6-tetramethyl-.

Sources

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

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