Chemical Properties of 1-H-Indene-1-one-2,4,5,6,7,7a hexahydro-4,4,7a trimethyl

InChI

InChI=1S/C12H18O/c1-8-6-7-12(2,3)9-4-5-10(13)11(8)9/h4,8,11H,5-7H2,1-3H3

InChI Key

FUUOXSPCJPACFA-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC1CCC(C)(C)C2=CCC(=O)C21

Molecular Weight¹

178.27

• 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.
• I : 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°	19.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.38	kJ/mol	Joback Calculated Property
ΔfusH°	11.92	kJ/mol	Joback Calculated Property
ΔvapH°	46.39	kJ/mol	Joback Calculated Property
log10WS	-3.04		Crippen Calculated Property
logPoct/wat	2.958		Crippen Calculated Property
McVol	155.490	ml/mol	McGowan Calculated Property
Pc	2584.59	kPa	Joback Calculated Property
Inp	1448.00		NIST
I	[1951.00; 1951.00]
I	1951.00		NIST
I	1951.00		NIST
Tboil	567.78	K	Joback Calculated Property
Tc	802.58	K	Joback Calculated Property
Tfus	351.48	K	Joback Calculated Property
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.20; 509.65]	J/mol×K	[567.78; 802.58]
Cp,gas	404.20	J/mol×K	567.78	Joback Calculated Property
Cp,gas	424.37	J/mol×K	606.91	Joback Calculated Property
Cp,gas	443.32	J/mol×K	646.05	Joback Calculated Property
Cp,gas	461.19	J/mol×K	685.18	Joback Calculated Property
Cp,gas	478.11	J/mol×K	724.31	Joback Calculated Property
Cp,gas	494.22	J/mol×K	763.45	Joback Calculated Property
Cp,gas	509.65	J/mol×K	802.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-H-Indene-1-one-2,4,5,6,7,7a hexahydro-4,4,7a trimethyl.

Sources

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

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