Chemical Properties of 9-Oxabicyclo[6.1.0]nonane (CAS 286-62-4)

InChI

InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2

InChI Key

MELPJGOMEMRMPL-UHFFFAOYSA-N

Formula

C8H14O

SMILES

C1CCCC2OC2CC1

Molecular Weight¹

126.20

CAS

286-62-4

Other Names

• 1,2-Epoxycyclooctane
• Cyclooctane, 1,2-epoxy-
• Cyclooctene, oxide
• Epoxycyclooctane
• cis-1,2-Epoxycyclooctane
• cis-9-oxabicyclo[6.1.0]nonane

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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_boilr : Boiling point at reduced pressure (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	0.3254		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°solid	[-4936.40; -4936.40]	kJ/mol
ΔcH°solid	-4936.40 ± 2.20	kJ/mol	NIST
ΔcH°solid	-4936.40 ± 2.20	kJ/mol	NIST
ΔfH°gas	[-165.10; -165.10]	kJ/mol
ΔfH°gas	-165.10 ± 2.40	kJ/mol	NIST
ΔfH°gas	-165.10 ± 2.40	kJ/mol	NIST
ΔfH°solid	[-212.50; -212.50]	kJ/mol
ΔfH°solid	-212.50 ± 2.20	kJ/mol	NIST
ΔfH°solid	-212.50 ± 2.20	kJ/mol	NIST
ΔfusH°	14.42	kJ/mol	Joback Calculated Property
ΔsubH°	[47.40; 47.40]	kJ/mol
ΔsubH°	47.40 ± 1.00	kJ/mol	NIST
ΔsubH°	47.40	kJ/mol	NIST
ΔsubH°	47.40 ± 1.00	kJ/mol	NIST
ΔvapH°	46.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
logPoct/wat	2.108		Crippen Calculated Property
McVol	107.730	ml/mol	McGowan Calculated Property
Pc	3452.06	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tboil	455.47	K	Relay (1.0) Calculated Property
Tc	693.32	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	325.44	K	Relay (1.0) Calculated Property
Vc	0.405	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.99; 416.39]	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			-1.02910e+02
Coefficient B			1.03380e+00
Coefficient C			-6.98700e-04
Coefficient D			1.84200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.99	J/mol×K	273.00	Calculated Property
Cp,gas	183.53	J/mol×K	353.78	Calculated Property
Cp,gas	229.51	J/mol×K	434.56	Calculated Property
Cp,gas	269.50	J/mol×K	515.33	Calculated Property
Cp,gas	304.09	J/mol×K	596.11	Calculated Property
Cp,gas	333.86	J/mol×K	676.89	Calculated Property
Cp,gas	359.39	J/mol×K	757.67	Calculated Property
Cp,gas	381.27	J/mol×K	838.44	Calculated Property
Cp,gas	400.07	J/mol×K	919.22	Calculated Property
Cp,gas	416.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032638; 0.0004304]	Pa×s	[231.81; 485.32]	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			-9.60314e+00
Coefficient B			8.99020e+02
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.			231.81
Temperature range, max.			485.32
η	0.0032638	Pa×s	231.81	Calculated Property
η	0.0021440	Pa×s	259.98	Calculated Property
η	0.0015290	Pa×s	288.15	Calculated Property
η	0.0011581	Pa×s	316.31	Calculated Property
η	0.0009179	Pa×s	344.48	Calculated Property
η	0.0007536	Pa×s	372.65	Calculated Property
η	0.0006361	Pa×s	400.82	Calculated Property
η	0.0005490	Pa×s	428.99	Calculated Property
η	0.0004825	Pa×s	457.16	Calculated Property
η	0.0004304	Pa×s	485.32	Calculated Property

Similar Compounds

Find more compounds similar to 9-Oxabicyclo[6.1.0]nonane.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.