Chemical Properties of 9-Oxabicyclo[6.1.0]nonane, cis- (CAS 4925-71-7)

InChI

InChI=1S/C8H14O/c1-2-4-6-8-7(9-8)5-3-1/h7-8H,1-6H2/t7-,8+

InChI Key

MELPJGOMEMRMPL-OCAPTIKFSA-N

Formula

C8H14O

SMILES

C1CCCC2OC2CC1

Molecular Weight¹

126.20

CAS

4925-71-7

Other Names

• cis-9-oxabicyclo[6.1.0]nonane

• 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).
• 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°solid	-4936.40 ± 2.20	kJ/mol	NIST
ΔfH°gas	-165.10 ± 2.40	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
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
Tboil	455.47	K	Relay (1.0) Calculated Property
Tfus	325.44	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	[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; 0.0004805]	Pa×s	[231.81; 458.11]	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.			458.11
η	0.0032638	Pa×s	231.81	Calculated Property
η	0.0022330	Pa×s	256.95	Calculated Property
η	0.0016348	Pa×s	282.10	Calculated Property
η	0.0012595	Pa×s	307.24	Calculated Property
η	0.0010094	Pa×s	332.39	Calculated Property
η	0.0008345	Pa×s	357.53	Calculated Property
η	0.0007074	Pa×s	382.68	Calculated Property
η	0.0006120	Pa×s	407.82	Calculated Property
η	0.0005385	Pa×s	432.97	Calculated Property
η	0.0004805	Pa×s	458.11	Calculated Property

Similar Compounds

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

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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