Chemical Properties of 6-Oxabicyclo[3.1.0]hexane

InChI

InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2

InChI Key

GJEZBVHHZQAEDB-UHFFFAOYSA-N

Formula

C5H8O

SMILES

C1CC2OC2C1

Molecular Weight¹

84.12

Other Names

• Cyclopentane oxide
• Cyclopentane, 1,2-epoxy-
• Cyclopentene epoxide
• Cyclopentene oxide
• 1,2-Epoxycyclopentane
• Epoxycyclopentane
• cis-1,2-Epoxycyclopentane

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2980.10 ± 6.10	kJ/mol	NIST
ΔfH°gas	-97.10 ± 7.00	kJ/mol	NIST
ΔfH°liquid	-130.80 ± 6.40	kJ/mol	NIST
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	[33.70; 33.70]	kJ/mol
ΔvapH°	33.70 ± 2.90	kJ/mol	NIST
ΔvapH°	33.70	kJ/mol	NIST
IE	9.61	eV	Relay (1.0) Calculated Property
logPoct/wat	0.938		Crippen Calculated Property
McVol	65.460	ml/mol	McGowan Calculated Property
Tboil	375.20	K	NIST

Cheméo can also estimate Normal melting (fusion) point, 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	[82.03; 256.28]	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			-8.48200e+01
Coefficient B			7.77600e-01
Coefficient C			-6.74700e-04
Coefficient D			2.38200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	82.03	J/mol×K	273.00	Calculated Property
Cp,gas	116.38	J/mol×K	353.78	Calculated Property
Cp,gas	145.23	J/mol×K	434.56	Calculated Property
Cp,gas	169.32	J/mol×K	515.33	Calculated Property
Cp,gas	189.42	J/mol×K	596.11	Calculated Property
Cp,gas	206.27	J/mol×K	676.89	Calculated Property
Cp,gas	220.63	J/mol×K	757.67	Calculated Property
Cp,gas	233.25	J/mol×K	838.44	Calculated Property
Cp,gas	244.88	J/mol×K	919.22	Calculated Property
Cp,gas	256.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004404; 0.0004639]	Pa×s	[208.56; 386.55]	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			-7.61478e+00
Coefficient B			-2.35700e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			208.56
Temperature range, max.			386.55
η	0.0004404	Pa×s	208.56	Calculated Property
η	0.0004447	Pa×s	228.34	Calculated Property
η	0.0004484	Pa×s	248.11	Calculated Property
η	0.0004516	Pa×s	267.89	Calculated Property
η	0.0004543	Pa×s	287.67	Calculated Property
η	0.0004567	Pa×s	307.44	Calculated Property
η	0.0004588	Pa×s	327.22	Calculated Property
η	0.0004607	Pa×s	347.00	Calculated Property
η	0.0004624	Pa×s	366.77	Calculated Property
η	0.0004639	Pa×s	386.55	Calculated Property

Similar Compounds

Find more compounds similar to 6-Oxabicyclo[3.1.0]hexane.

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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