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

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

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2507		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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
Pc	4508.03	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tboil	375.20	K	NIST
Tc	582.16	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.273	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Normal melting (fusion) point, Standard Gibbs free energy of formation, 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; 0.0004654]	Pa×s	[208.56; 407.51]	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.			407.51
η	0.0004404	Pa×s	208.56	Calculated Property
η	0.0004452	Pa×s	230.67	Calculated Property
η	0.0004492	Pa×s	252.77	Calculated Property
η	0.0004526	Pa×s	274.88	Calculated Property
η	0.0004555	Pa×s	296.98	Calculated Property
η	0.0004580	Pa×s	319.09	Calculated Property
η	0.0004602	Pa×s	341.19	Calculated Property
η	0.0004621	Pa×s	363.30	Calculated Property
η	0.0004639	Pa×s	385.41	Calculated Property
η	0.0004654	Pa×s	407.51	Calculated Property

Similar Compounds

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

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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