Chemical Properties of Oxirane, (ethoxymethyl)- (CAS 4016-11-9)

InChI

InChI=1S/C5H10O2/c1-2-6-3-5-4-7-5/h5H,2-4H2,1H3

InChI Key

HQCSZRIVJVOYSU-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CCOCC1CO1

Molecular Weight¹

102.13

CAS

4016-11-9

Other Names

• Ethyl glycidyl ether
• Propane, 1,2-epoxy-3-ethoxy-
• (Ethoxymethyl)oxirane
• 1,2-Epoxy-3-ethoxypropane
• 3-Ethoxy-1,2-epoxypropane
• 1,2-Epoxy-3-ethyloxy propane
• UN 2752
• NSC 71436
• Oxirane, 2-(ethoxymethyl)-

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-267.50	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-295.30 ± 2.10	kJ/mol	NIST
ΔfusH°	16.01	kJ/mol	Joback Calculated Property
ΔvapH°	45.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
logPoct/wat	0.422		Crippen Calculated Property
McVol	82.190	ml/mol	McGowan Calculated Property
Inp	[770.00; 770.00]
Inp	770.00		NIST
Inp	770.00		NIST
Tboil	398.15	K	Relay (1.0) Calculated Property

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	[120.87; 295.04]	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			-9.07800e+00
Coefficient B			5.63520e-01
Coefficient C			-3.43500e-04
Coefficient D			8.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.87	J/mol×K	273.00	Calculated Property
Cp,gas	151.01	J/mol×K	353.78	Calculated Property
Cp,gas	177.84	J/mol×K	434.56	Calculated Property
Cp,gas	201.61	J/mol×K	515.33	Calculated Property
Cp,gas	222.60	J/mol×K	596.11	Calculated Property
Cp,gas	241.06	J/mol×K	676.89	Calculated Property
Cp,gas	257.27	J/mol×K	757.67	Calculated Property
Cp,gas	271.50	J/mol×K	838.44	Calculated Property
Cp,gas	284.00	J/mol×K	919.22	Calculated Property
Cp,gas	295.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012403; 0.0003397]	Pa×s	[212.85; 386.09]	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			-9.57872e+00
Coefficient B			6.14360e+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.			212.85
Temperature range, max.			386.09
η	0.0012403	Pa×s	212.85	Calculated Property
η	0.0009763	Pa×s	232.10	Calculated Property
η	0.0007972	Pa×s	251.35	Calculated Property
η	0.0006699	Pa×s	270.60	Calculated Property
η	0.0005762	Pa×s	289.84	Calculated Property
η	0.0005049	Pa×s	309.09	Calculated Property
η	0.0004494	Pa×s	328.34	Calculated Property
η	0.0004052	Pa×s	347.59	Calculated Property
η	0.0003693	Pa×s	366.84	Calculated Property
η	0.0003397	Pa×s	386.09	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, (ethoxymethyl)-.

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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