Chemical Properties of 7-Oxabicyclo[4.1.0]heptane (CAS 286-20-4)

InChI

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

InChI Key

ZWAJLVLEBYIOTI-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C1CCC2OC2C1

Molecular Weight¹

98.14

CAS

286-20-4

Other Names

• 1,2-cyclohexene oxide
• 1,2-epoxycyclohexane
• 2,3-tetramethyleneoxirane
• Bicyclo[4.1.0]heptane, 7-oxa-
• CCHO
• Cyclohexene 1-oxide
• NSC 128074
• cyclohexane, 1,2-epoxy-
• cyclohexene epoxide
• cyclohexene oxide
• cyclohexylene oxide
• tetramethyleneoxirane

• 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).
• C_p,liquid : Liquid phase 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).
• P_vap : Vapor pressure (kPa).
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	848.10	kJ/mol	NIST
BasG	815.60	kJ/mol	NIST
ΔcH°liquid	[-3624.90; -3624.20]	kJ/mol
ΔcH°liquid	-3624.20 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-3624.90 ± 0.60	kJ/mol	NIST
ΔfG°	22.92	kJ/mol	Joback Calculated Property
ΔfH°gas	[-125.50; -122.20]	kJ/mol
ΔfH°gas	-125.50 ± 1.10	kJ/mol	NIST
ΔfH°gas	-122.20 ± 2.20	kJ/mol	NIST
ΔfH°liquid	[-166.00; -165.30]	kJ/mol
ΔfH°liquid	-166.00 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-165.30 ± 1.00	kJ/mol	NIST
ΔfusH°	13.44	kJ/mol	Joback Calculated Property
ΔvapH°	[40.50; 43.20]	kJ/mol
ΔvapH°	40.50 ± 0.20	kJ/mol	NIST
ΔvapH°	40.50	kJ/mol	NIST
ΔvapH°	43.20 ± 2.00	kJ/mol	NIST
ΔvapH°	43.10	kJ/mol	NIST
IE	9.82	eV	NIST
log10WS	-1.43		Crippen Calculated Property
logPoct/wat	1.328		Crippen Calculated Property
McVol	79.550	ml/mol	McGowan Calculated Property
Pc	4339.67	kPa	Joback Calculated Property
I	[1152.00; 1158.00]
I	1158.00		NIST
I	1158.00		NIST
I	1152.00		NIST
S°liquid	221.98	J/mol×K	NIST
Tboil	[402.50; 404.87]	K
Tboil	404.87	K	Measure...
Tboil	402.70	K	NIST
Tboil	404.70	K	NIST
Tboil	402.50 ± 0.50	K	NIST
Tc	586.65	K	Joback Calculated Property
Tfus	216.31	K	Joback Calculated Property
Ttriple	238.14 ± 0.01	K	NIST
Vc	0.298	m3/kmol	Joback 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
Cp,liquid	166.12	J/mol×K	300.00	NIST
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	[1.06; 9.54]	kJ/mol	[155.00; 238.10]
ΔfusH	1.06	kJ/mol	155.00	NIST
ΔfusH	9.54	kJ/mol	193.10	NIST
ΔfusH	1.06	kJ/mol	238.10	NIST
Pvap	[25.50; 497.00]	kPa	[360.91; 474.03]
Pvap	25.50	kPa	360.91	Measure...
Pvap	25.80	kPa	361.13	Measure...
Pvap	52.40	kPa	382.47	Measure...
Pvap	53.60	kPa	383.09	Measure...
Pvap	101.30	kPa	404.87	Measure...
Pvap	103.80	kPa	405.48	Measure...
Pvap	167.00	kPa	423.87	Measure...
Pvap	268.00	kPa	443.95	Measure...
Pvap	333.00	kPa	453.99	Measure...
Pvap	409.00	kPa	463.99	Measure...
Pvap	497.00	kPa	474.03	Measure...
ΔfusS	[4.47; 49.38]	J/mol×K	[193.10; 238.10]
ΔfusS	49.38	J/mol×K	193.10	NIST
ΔfusS	4.47	J/mol×K	238.10	NIST

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[4.1.0]heptane.

Mixtures

• Carbon dioxide + 7-Oxabicyclo[4.1.0]heptane

Sources

• Crippen Method
• Crippen Method
• Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
• Joback Method
• McGowan Method
• NIST Webbook

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