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-

• ω : Acentric Factor.
• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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	0.3135		Relay (1.0) Calculated Property
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
ΔfG°	22.92	kJ/mol	Joback Calculated Property
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°	35.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.57 ± 0.02	eV	NIST
log10WS	-1.07		Relay (1.0) Calculated Property
logPoct/wat	1.328		Crippen Calculated Property
McVol	79.550	ml/mol	McGowan Calculated Property
Pc	4339.67	kPa	Joback Calculated Property
Tboil	395.88	K	Relay (1.0) Calculated Property
Tc	627.06	K	Relay (1.0) Calculated Property
Tfus	349.58	K	Relay (1.0) Calculated Property
Vc	0.304	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.20; 224.93]	J/mol×K	[381.38; 586.65]
Cp,gas	151.20	J/mol×K	381.38	Joback Calculated Property
Cp,gas	165.70	J/mol×K	415.59	Joback Calculated Property
Cp,gas	179.24	J/mol×K	449.80	Joback Calculated Property
Cp,gas	191.89	J/mol×K	484.02	Joback Calculated Property
Cp,gas	203.68	J/mol×K	518.23	Joback Calculated Property
Cp,gas	214.68	J/mol×K	552.44	Joback Calculated Property
Cp,gas	224.93	J/mol×K	586.65	Joback Calculated Property
η	[0.0005454; 0.0009627]	Pa×s	[216.31; 381.38]
η	0.0009627	Pa×s	216.31	Joback Calculated Property
η	0.0008301	Pa×s	243.82	Joback Calculated Property
η	0.0007377	Pa×s	271.33	Joback Calculated Property
η	0.0006699	Pa×s	298.85	Joback Calculated Property
η	0.0006183	Pa×s	326.36	Joback Calculated Property
η	0.0005779	Pa×s	353.87	Joback Calculated Property
η	0.0005454	Pa×s	381.38	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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