Chemical Properties of 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 17283-81-7)

InChI

InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3

InChI Key

QJJDNZGPQDGNDX-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CC(=O)CCC1=C(C)CCCC1(C)C

Molecular Weight¹

194.31

CAS

17283-81-7

Other Names

• «alpha»,«beta»-Dihydro-«beta»-ionone
• «beta»-Ionone, dihydro-
• Dihydro-«beta»-ionone
• 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
• 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone
• 7,8-Dihydro-«beta»-ionone
• 1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one
• «beta»-7,8-Dihydroionone
• 7,8-dehydro-«beta»-ionone
• 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butan-2-one
• 4-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-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.
• 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°	-40.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.83	kJ/mol	Joback Calculated Property
ΔfusH°	17.01	kJ/mol	Joback Calculated Property
ΔvapH°	52.17	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	180.440	ml/mol	McGowan Calculated Property
Pc	2169.38	kPa	Joback Calculated Property
Inp	[1414.00; 1436.00]
Inp	1414.00		NIST
Inp	1436.00		NIST
I	1849.00		NIST
Tboil	579.62	K	Joback Calculated Property
Tc	789.51	K	Joback Calculated Property
Tfus	343.28	K	Joback Calculated Property
Vc	0.686	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.66; 553.72]	J/mol×K	[579.62; 789.51]
Cp,gas	456.66	J/mol×K	579.62	Joback Calculated Property
Cp,gas	474.94	J/mol×K	614.60	Joback Calculated Property
Cp,gas	492.25	J/mol×K	649.58	Joback Calculated Property
Cp,gas	508.68	J/mol×K	684.57	Joback Calculated Property
Cp,gas	524.34	J/mol×K	719.55	Joback Calculated Property
Cp,gas	539.31	J/mol×K	754.53	Joback Calculated Property
Cp,gas	553.72	J/mol×K	789.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

Sources

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

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