Chemical Properties of 1,2-Epoxycyclohexane

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

Other Names

• 1,2-cyclohexene oxide
• 2,3-tetramethyleneoxirane
• 7-oxabicyclo[4.1.0]heptane
• 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_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).
• P_vap : Vapor pressure (kPa).
• I_p : 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_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• 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
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
logPoct/wat	1.328		Crippen Calculated Property
McVol	79.550	ml/mol	McGowan Calculated Property
Ip	[1152.00; 1158.00]
Ip	1158.00		NIST
Ip	1158.00		NIST
Ip	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
Tfus	233.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	[238.14; 238.14]	K
Ttriple	238.14 ± 0.01	K	NIST
Ttriple	238.14 ± 0.01	K	NIST

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,liquid	166.12	J/mol×K	300.00	NIST
ΔfusH	[1.06; 9.54]	kJ/mol	[155.00; 238.10]
ΔfusH	1.06	kJ/mol	155.00	NIST
ΔfusH	1.06	kJ/mol	155.00	NIST
ΔfusH	9.54	kJ/mol	193.10	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	49.38	J/mol×K	193.10	NIST
ΔfusS	4.47	J/mol×K	238.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[98.35; 309.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.08500e+01
Coefficient B			8.63000e-01
Coefficient C			-6.82700e-04
Coefficient D			2.20200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.35	J/mol×K	273.00	Calculated Property
Cp,gas	138.76	J/mol×K	353.78	Calculated Property
Cp,gas	173.32	J/mol×K	434.56	Calculated Property
Cp,gas	202.71	J/mol×K	515.33	Calculated Property
Cp,gas	227.64	J/mol×K	596.11	Calculated Property
Cp,gas	248.80	J/mol×K	676.89	Calculated Property
Cp,gas	266.88	J/mol×K	757.67	Calculated Property
Cp,gas	282.59	J/mol×K	838.44	Calculated Property
Cp,gas	296.61	J/mol×K	919.22	Calculated Property
Cp,gas	309.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008756; 0.0005170]	Pa×s	[233.15; 410.87]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.25855e+00
Coefficient B			2.83960e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			233.15
Temperature range, max.			410.87
η	0.0008756	Pa×s	233.15	Calculated Property
η	0.0007961	Pa×s	252.90	Calculated Property
η	0.0007340	Pa×s	272.64	Calculated Property
η	0.0006841	Pa×s	292.39	Calculated Property
η	0.0006433	Pa×s	312.14	Calculated Property
η	0.0006095	Pa×s	331.88	Calculated Property
η	0.0005809	Pa×s	351.63	Calculated Property
η	0.0005564	Pa×s	371.38	Calculated Property
η	0.0005354	Pa×s	391.12	Calculated Property
η	0.0005170	Pa×s	410.87	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Epoxycyclohexane.

Mixtures

• Carbon dioxide + 1,2-Epoxycyclohexane

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• 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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