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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.67; 363.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.68800e+01
Coefficient B			9.48400e-01
Coefficient C			-6.90700e-04
Coefficient D			2.02200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.67	J/mol×K	273.00	Calculated Property
Cp,gas	161.15	J/mol×K	353.78	Calculated Property
Cp,gas	201.41	J/mol×K	434.56	Calculated Property
Cp,gas	236.11	J/mol×K	515.33	Calculated Property
Cp,gas	265.86	J/mol×K	596.11	Calculated Property
Cp,gas	291.33	J/mol×K	676.89	Calculated Property
Cp,gas	313.13	J/mol×K	757.67	Calculated Property
Cp,gas	331.93	J/mol×K	838.44	Calculated Property
Cp,gas	348.34	J/mol×K	919.22	Calculated Property
Cp,gas	363.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018676; 0.0005197]	Pa×s	[224.06; 434.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.92297e+00
Coefficient B			5.91490e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			224.06
Temperature range, max.			434.71
η	0.0018676	Pa×s	224.06	Calculated Property
η	0.0014550	Pa×s	247.47	Calculated Property
η	0.0011835	Pa×s	270.87	Calculated Property
η	0.0009948	Pa×s	294.28	Calculated Property
η	0.0008579	Pa×s	317.68	Calculated Property
η	0.0007550	Pa×s	341.09	Calculated Property
η	0.0006754	Pa×s	364.49	Calculated Property
η	0.0006124	Pa×s	387.90	Calculated Property
η	0.0005615	Pa×s	411.31	Calculated Property
η	0.0005197	Pa×s	434.71	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

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