Chemical Properties of Oxirane, ethenyl- (CAS 930-22-3)

InChI

InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2

InChI Key

GXBYFVGCMPJVJX-UHFFFAOYSA-N

Formula

C4H6O

SMILES

C=CC1CO1

Molecular Weight¹

70.09

CAS

930-22-3

Other Names

• 1,2-Epoxy-3-butene
• 1,2-Epoxy-3-butylene
• 1,2-Epoxybutene-3
• 1,2-Oxido-3-butene
• 1,3-Butadiene monoepoxide
• 1,3-Butadiene monooxide
• 1,3-Butadiene oxide
• 1-Butene, 3,4-epoxy-
• 3,4-Epoxy-1-butene
• 3,4-Epoxybut-1-ene
• 3,4-Epoxybutene
• 3,4-Epoxybutene-1
• Butadiene epoxide
• Butadiene monoepoxide
• Butadiene monooxide
• Butadiene monoxide
• Butadiene oxide
• Ethenyloxirane
• NSC 24251
• NSC 8023
• Oxirane, 2-ethenyl-
• Vinylethylene oxide
• Vinyloxirane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.95	kJ/mol	Joback Calculated Property
IE	[9.52; 9.94]	eV
IE	9.52	eV	NIST
IE	9.70 ± 0.30	eV	NIST
IE	9.94	eV	NIST
logPoct/wat	0.571		Crippen Calculated Property
McVol	57.930	ml/mol	McGowan Calculated Property
Inp	571.00		NIST
Tboil	[338.70; 340.00]	K
Tboil	338.70	K	NIST
Tboil	340.00 ± 0.40	K	NIST
Tfus	[138.15; 187.30]	K
Tfus	138.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	187.30 ± 0.60	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[74.45; 196.44]	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			-3.66600e+01
Coefficient B			5.11700e-01
Coefficient C			-4.23000e-04
Coefficient D			1.44400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	74.45	J/mol×K	273.00	Calculated Property
Cp,gas	97.82	J/mol×K	353.78	Calculated Property
Cp,gas	117.67	J/mol×K	434.56	Calculated Property
Cp,gas	134.46	J/mol×K	515.33	Calculated Property
Cp,gas	148.65	J/mol×K	596.11	Calculated Property
Cp,gas	160.68	J/mol×K	676.89	Calculated Property
Cp,gas	171.02	J/mol×K	757.67	Calculated Property
Cp,gas	180.12	J/mol×K	838.44	Calculated Property
Cp,gas	188.44	J/mol×K	919.22	Calculated Property
Cp,gas	196.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007563; 0.0002501]	Pa×s	[162.73; 354.36]	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			-9.23321e+00
Coefficient B			3.32950e+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.			162.73
Temperature range, max.			354.36
η	0.0007563	Pa×s	162.73	Calculated Property
η	0.0005968	Pa×s	184.02	Calculated Property
η	0.0004947	Pa×s	205.31	Calculated Property
η	0.0004248	Pa×s	226.60	Calculated Property
η	0.0003744	Pa×s	247.89	Calculated Property
η	0.0003367	Pa×s	269.19	Calculated Property
η	0.0003075	Pa×s	290.48	Calculated Property
η	0.0002844	Pa×s	311.77	Calculated Property
η	0.0002656	Pa×s	333.06	Calculated Property
η	0.0002501	Pa×s	354.36	Calculated Property

Similar Compounds

Find more compounds similar to Oxirane, ethenyl-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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