Chemical Properties of 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl- (CAS 33704-61-9)

InChI

InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3

InChI Key

MIZGSAALSYARKU-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C

Molecular Weight¹

206.32

CAS

33704-61-9

Other Names

• Cashmeran
• 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one

• 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°	21.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.89	kJ/mol	Joback Calculated Property
ΔfusH°	10.41	kJ/mol	Joback Calculated Property
ΔvapH°	50.35	kJ/mol	Joback Calculated Property
log10WS	-3.88		Crippen Calculated Property
logPoct/wat	3.738		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Pc	2206.22	kPa	Joback Calculated Property
Inp	[1503.20; 1503.20]
Inp	1503.20		NIST
Inp	1503.20		NIST
Tboil	618.76	K	Joback Calculated Property
Tc	854.47	K	Joback Calculated Property
Tfus	410.44	K	Joback Calculated Property
Vc	0.698	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.54; 618.62]	J/mol×K	[618.76; 854.47]
Cp,gas	504.54	J/mol×K	618.76	Joback Calculated Property
Cp,gas	525.27	J/mol×K	658.04	Joback Calculated Property
Cp,gas	544.99	J/mol×K	697.33	Joback Calculated Property
Cp,gas	563.94	J/mol×K	736.61	Joback Calculated Property
Cp,gas	582.36	J/mol×K	775.90	Joback Calculated Property
Cp,gas	600.51	J/mol×K	815.18	Joback Calculated Property
Cp,gas	618.62	J/mol×K	854.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-.

Sources

• 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.