Chemical Properties of 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)- (CAS 96-08-2)

InChI

InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3

InChI Key

RBHIUNHSNSQJNG-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC1(C2CCC3(C)OC3C2)CO1

Molecular Weight¹

168.23

CAS

96-08-2

Other Names

• p-Menthane, 1,2:8,9-diepoxy-
• «alpha»-Limonene diepoxide
• Dipentene diepoxide
• Dipentene dioxide
• Dipentene oxide
• Epoxide 269
• Limonene dioxide
• Unox Epoxide 269
• Unox 269
• Unoxat Epoxide 269
• 1,2:8,9-Diepoxy-p-menthane
• 1,2:8,9-Diepoxylimonene
• Limonene diepoxide
• Menthane, 1,2:8,9-diepoxy-
• 1,2,8,9-Diepoxylimonene
• 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane
• Diepoxylimonene
• NSC 30545

• 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.
• 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
ω	0.4005		Relay (... Calculated Property
ΔfG°	12.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-289.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.39	kJ/mol	Joback Calculated Property
ΔvapH°	59.72	kJ/mol	Relay (... Calculated Property
IE	9.09	eV	Relay (... Calculated Property
log10WS	-2.14		Relay (... Calculated Property
logPoct/wat	1.733		Crippen Calculated Property
McVol	130.920	ml/mol	McGowan Calculated Property
Pc	3364.54	kPa	Joback Calculated Property
Inp	1294.00		NIST
I	[1967.00; 2059.00]
I	1967.00		NIST
I	2059.00		NIST
Tboil	487.67	K	Relay (... Calculated Property
Tc	727.29	K	Relay (... Calculated Property
Tfus	287.39	K	Relay (... Calculated Property
Vc	0.552	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.60; 434.10]	J/mol×K	[502.40; 732.54]
Cp,gas	340.60	J/mol×K	502.40	Joback Calculated Property
Cp,gas	359.66	J/mol×K	540.76	Joback Calculated Property
Cp,gas	376.90	J/mol×K	579.11	Joback Calculated Property
Cp,gas	392.66	J/mol×K	617.47	Joback Calculated Property
Cp,gas	407.23	J/mol×K	655.83	Joback Calculated Property
Cp,gas	420.94	J/mol×K	694.18	Joback Calculated Property
Cp,gas	434.10	J/mol×K	732.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-.

Sources

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

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