Chemical Properties of 7-Oxabicyclo[2.2.1]heptane (CAS 279-49-2)

InChI

InChI=1S/C6H10O/c1-2-6-4-3-5(1)7-6/h5-6H,1-4H2

InChI Key

YPWFNLSXQIGJCK-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C1CC2CCC1O2

Molecular Weight¹

98.14

CAS

279-49-2

Other Names

• 7-Oxanorbornane
• Cyclohexane, 1,4-epoxy-
• Cyclohexane, 3,6-endoxo-
• 1,4-Epoxycyclohexane
• 1,4-Oxycyclohexane
• 3,6-Endooxycyclohexane
• 3,6-Endoxocyclohexane
• Bicyclo[2.2.1]heptane, 7-oxa-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	844.20	kJ/mol	NIST
BasG	816.80	kJ/mol	NIST
ΔcH°liquid	[-3566.30; -3566.30]	kJ/mol
ΔcH°liquid	-3566.30 ± 1.50	kJ/mol	NIST
ΔcH°liquid	-3566.30 ± 1.50	kJ/mol	NIST
ΔfH°gas	-93.12	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-223.90 ± 2.00	kJ/mol	NIST
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
ΔvapH°	36.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.57 ± 0.02	eV	NIST
logPoct/wat	1.328		Crippen Calculated Property
McVol	79.550	ml/mol	McGowan Calculated Property
Tfus	340.14	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[151.28; 225.02]	J/mol×K	[381.58; 586.96]
Cp,gas	151.28	J/mol×K	381.58	Joback Calculated Property
Cp,gas	165.79	J/mol×K	415.81	Joback Calculated Property
Cp,gas	179.33	J/mol×K	450.04	Joback Calculated Property
Cp,gas	191.98	J/mol×K	484.27	Joback Calculated Property
Cp,gas	203.77	J/mol×K	518.50	Joback Calculated Property
Cp,gas	214.77	J/mol×K	552.73	Joback Calculated Property
Cp,gas	225.02	J/mol×K	586.96	Joback Calculated Property
η	[0.0005452; 0.0009627]	Pa×s	[216.31; 381.58]
η	0.0009627	Pa×s	216.31	Joback Calculated Property
η	0.0008300	Pa×s	243.85	Joback Calculated Property
η	0.0007375	Pa×s	271.40	Joback Calculated Property
η	0.0006697	Pa×s	298.94	Joback Calculated Property
η	0.0006181	Pa×s	326.49	Joback Calculated Property
η	0.0005777	Pa×s	354.03	Joback Calculated Property
η	0.0005452	Pa×s	381.58	Joback Calculated Property
ΔfusH	0.71	kJ/mol	244.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[2.2.1]heptane.

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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