Chemical Properties of 8-Oxabicyclo[5.1.0]octane (CAS 286-45-3)

InChI

InChI=1S/C7H12O/c1-2-4-6-7(8-6)5-3-1/h6-7H,1-5H2

InChI Key

MLOZFLXCWGERSM-UHFFFAOYSA-N

Formula

C7H12O

SMILES

C1CCC2OC2CC1

Molecular Weight¹

112.17

CAS

286-45-3

Other Names

• 1,2-Epoxycycloheptane
• Cycloheptane, 1,2-epoxy-
• Cycloheptene epoxide
• Cycloheptene oxide
• Epoxycycloheptane
• cis-1,2-Epoxycycloheptane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4272.10 ± 3.10	kJ/mol	NIST
ΔfH°gas	-152.30 ± 3.10	kJ/mol	NIST
ΔfH°liquid	-197.50 ± 3.10	kJ/mol	NIST
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
ΔvapH°	[45.20; 45.20]	kJ/mol
ΔvapH°	45.20 ± 0.40	kJ/mol	NIST
ΔvapH°	45.20	kJ/mol	NIST
IE	9.65	eV	Relay (1.0) Calculated Property
logPoct/wat	1.718		Crippen Calculated Property
McVol	93.640	ml/mol	McGowan Calculated Property
Tboil	430.37	K	Relay (1.0) Calculated Property
Tfus	311.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.08; 274.04]	J/mol×K	[408.53; 620.71]
Cp,gas	189.08	J/mol×K	408.53	Joback Calculated Property
Cp,gas	205.70	J/mol×K	443.89	Joback Calculated Property
Cp,gas	221.26	J/mol×K	479.26	Joback Calculated Property
Cp,gas	235.82	J/mol×K	514.62	Joback Calculated Property
Cp,gas	249.44	J/mol×K	549.98	Joback Calculated Property
Cp,gas	262.16	J/mol×K	585.35	Joback Calculated Property
Cp,gas	274.04	J/mol×K	620.71	Joback Calculated Property
η	[0.0005670; 0.0018676]	Pa×s	[224.06; 408.53]
η	0.0018676	Pa×s	224.06	Joback Calculated Property
η	0.0013582	Pa×s	254.81	Joback Calculated Property
η	0.0010578	Pa×s	285.55	Joback Calculated Property
η	0.0008649	Pa×s	316.29	Joback Calculated Property
η	0.0007328	Pa×s	347.04	Joback Calculated Property
η	0.0006379	Pa×s	377.78	Joback Calculated Property
η	0.0005670	Pa×s	408.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8-Oxabicyclo[5.1.0]octane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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