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

• 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).
• 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
ω	0.2967		Relay (1.0) Calculated Property
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	-1.83		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
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	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Tboil	402.70	K	NIST
Tboil	404.70	K	NIST
Tboil	402.50 ± 0.50	K	NIST
Tc	621.26	K	Relay (1.0) Calculated Property
Tfus	308.03	K	Relay (1.0) Calculated Property
Ttriple	238.14 ± 0.01	K	NIST
Vc	0.298	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
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	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	25.80	kPa	361.13	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	52.40	kPa	382.47	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	53.60	kPa	383.09	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	101.30	kPa	404.87	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	103.80	kPa	405.48	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	167.00	kPa	423.87	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	268.00	kPa	443.95	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	333.00	kPa	453.99	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	409.00	kPa	463.99	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
Pvap	497.00	kPa	474.03	Measurement and Modeling of the High-Pressure Phase Behavior of the Binary System Carbon Dioxide + 1,2-Epoxycyclohexane
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

• Cheméo Relay (1.0)
• 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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