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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.21; 326.03]	J/mol×K	[435.88; 654.45]
Cp,gas	230.21	J/mol×K	435.88	Joback Calculated Property
Cp,gas	248.91	J/mol×K	472.31	Joback Calculated Property
Cp,gas	266.44	J/mol×K	508.74	Joback Calculated Property
Cp,gas	282.87	J/mol×K	545.16	Joback Calculated Property
Cp,gas	298.24	J/mol×K	581.59	Joback Calculated Property
Cp,gas	312.61	J/mol×K	618.02	Joback Calculated Property
Cp,gas	326.03	J/mol×K	654.45	Joback Calculated Property
η	[0.0005311; 0.0032638]	Pa×s	[231.81; 435.88]
η	0.0032638	Pa×s	231.81	Joback Calculated Property
η	0.0019871	Pa×s	265.82	Joback Calculated Property
η	0.0013539	Pa×s	299.83	Joback Calculated Property
η	0.0009975	Pa×s	333.85	Joback Calculated Property
η	0.0007777	Pa×s	367.86	Joback Calculated Property
η	0.0006324	Pa×s	401.87	Joback Calculated Property
η	0.0005311	Pa×s	435.88	Joback 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

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.
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