Chemical Properties of 7,8-Epoxy-«alpha»-ionone (CAS 37079-64-4)

InChI

InChI=1S/C13H20O2/c1-8-6-5-7-13(3,4)10(8)12-11(15-12)9(2)14/h6,10-12H,5,7H2,1-4H3

InChI Key

SVKGURRUPLWTIE-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CC(=O)C1OC1C1C(C)=CCCC1(C)C

Molecular Weight¹

208.30

CAS

37079-64-4

Other Names

• 1-[3-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-oxiranyl]ethanone
• Ethanone, 1-[3-(2,6,6-trimethyl-2-cyclohexen-1-yl)oxiranyl]-

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.3956		Relay (... Calculated Property
ΔfG°	-71.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-338.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.65	kJ/mol	Joback Calculated Property
ΔvapH°	68.73	kJ/mol	Relay (... Calculated Property
IE	8.83	eV	Relay (... Calculated Property
log10WS	-2.88		Relay (... Calculated Property
logPoct/wat	2.725		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Pc	2318.07	kPa	Joback Calculated Property
Inp	[1473.00; 1475.00]
Inp	1473.00		NIST
Inp	1473.00		NIST
Inp	1475.00		NIST
Tboil	528.99	K	Relay (... Calculated Property
Tc	749.99	K	Relay (... Calculated Property
Tfus	320.69	K	Relay (... Calculated Property
Vc	0.622	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.44; 580.76]	J/mol×K	[598.99; 820.78]
Cp,gas	478.44	J/mol×K	598.99	Joback Calculated Property
Cp,gas	497.93	J/mol×K	635.96	Joback Calculated Property
Cp,gas	516.27	J/mol×K	672.92	Joback Calculated Property
Cp,gas	533.58	J/mol×K	709.89	Joback Calculated Property
Cp,gas	550.01	J/mol×K	746.85	Joback Calculated Property
Cp,gas	565.69	J/mol×K	783.82	Joback Calculated Property
Cp,gas	580.76	J/mol×K	820.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7,8-Epoxy-«alpha»-ionone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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