Chemical Properties of Oxirane, [(1-methylethoxy)methyl]-

InChI

InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3

InChI Key

NWLUZGJDEZBBRH-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CC(C)OCC1CO1

Molecular Weight¹

116.16

Other Names

• Isopropyl glycidyl ether
• Propane, 1,2-epoxy-3-isopropoxy-
• (Isopropoxymethyl)oxirane
• Glycidyl isopropyl ether
• 3-Isopropoxy-1,2-epoxypropane
• 3-Isopropyloxypropylene oxide
• 1,2-Epoxy-3-iso-propoxypropane
• 2,3-Epoxypropyl isopropyl ether
• IGE
• NCI-C56439
• Isopropyl epoxypropyl ether
• NSC 4127
• NSC 46562
• Oxirane, 2-[(1-methylethoxy)methyl]-

• 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_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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3733.00 ± 1.20	kJ/mol	NIST
ΔfH°gas	-299.40 ± 2.40	kJ/mol	NIST
ΔfH°liquid	-342.90 ± 1.20	kJ/mol	NIST
ΔfusH°	15.07	kJ/mol	Joback Calculated Property
ΔvapH°	[43.50; 43.50]	kJ/mol
ΔvapH°	43.50 ± 2.10	kJ/mol	NIST
ΔvapH°	43.50	kJ/mol	NIST
IE	9.70	eV	Relay (1.0) Calculated Property
logPoct/wat	0.810		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Tboil	404.70	K	NIST

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.77; 347.17]	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			-1.16690e+01
Coefficient B			6.64440e-01
Coefficient C			-4.01100e-04
Coefficient D			9.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.77	J/mol×K	273.00	Calculated Property
Cp,gas	177.42	J/mol×K	353.78	Calculated Property
Cp,gas	209.16	J/mol×K	434.56	Calculated Property
Cp,gas	237.29	J/mol×K	515.33	Calculated Property
Cp,gas	262.11	J/mol×K	596.11	Calculated Property
Cp,gas	283.93	J/mol×K	676.89	Calculated Property
Cp,gas	303.04	J/mol×K	757.67	Calculated Property
Cp,gas	319.75	J/mol×K	838.44	Calculated Property
Cp,gas	334.36	J/mol×K	919.22	Calculated Property
Cp,gas	347.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020011; 0.0003574]	Pa×s	[209.12; 404.24]	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			-9.78303e+00
Coefficient B			7.46340e+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.			209.12
Temperature range, max.			404.24
η	0.0020011	Pa×s	209.12	Calculated Property
η	0.0014311	Pa×s	230.80	Calculated Property
η	0.0010841	Pa×s	252.48	Calculated Property
η	0.0008581	Pa×s	274.16	Calculated Property
η	0.0007029	Pa×s	295.84	Calculated Property
η	0.0005917	Pa×s	317.52	Calculated Property
η	0.0005092	Pa×s	339.20	Calculated Property
η	0.0004461	Pa×s	360.88	Calculated Property
η	0.0003968	Pa×s	382.56	Calculated Property
η	0.0003574	Pa×s	404.24	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, [(1-methylethoxy)methyl]-.

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

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