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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[193.05; 256.58]	J/mol×K	[392.35; 577.19]
Cp,gas	193.05	J/mol×K	392.35	Joback Calculated Property
Cp,gas	204.91	J/mol×K	423.16	Joback Calculated Property
Cp,gas	216.24	J/mol×K	453.96	Joback Calculated Property
Cp,gas	227.05	J/mol×K	484.77	Joback Calculated Property
Cp,gas	237.37	J/mol×K	515.58	Joback Calculated Property
Cp,gas	247.21	J/mol×K	546.38	Joback Calculated Property
Cp,gas	256.58	J/mol×K	577.19	Joback Calculated Property
η	[0.0003779; 0.0020011]	Pa×s	[209.12; 392.35]
η	0.0020011	Pa×s	209.12	Joback Calculated Property
η	0.0012699	Pa×s	239.66	Joback Calculated Property
η	0.0008931	Pa×s	270.20	Joback Calculated Property
η	0.0006747	Pa×s	300.74	Joback Calculated Property
η	0.0005367	Pa×s	331.27	Joback Calculated Property
η	0.0004438	Pa×s	361.81	Joback Calculated Property
η	0.0003779	Pa×s	392.35	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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