Chemical Properties of 2,2'-Bioxirane (CAS 1464-53-5)

InChI

InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2

InChI Key

ZFIVKAOQEXOYFY-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

C1OC1C1CO1

Molecular Weight¹

86.09

CAS

1464-53-5

Other Names

• 1,1'-Bi[ethylene oxide]
• 1,2,3,4-Diepoxybutane
• 1,2:3,4-Diepoxybutane
• 1,3-Butadiene diepoxide
• Bioxiran
• Bioxirane
• Butadiendioxyd
• Butadiene diepoxide
• Butadiene dioxide
• Butane diepoxide
• Butane, 1,2:3,4-diepoxy-
• CB 1181
• DEB
• Diepoxybutane
• Dioxybutadiene
• ENT-26592
• M 8838
• NSC 629
• R 181
• Rcra waste number U085
• Threitol, 1,2:3,4-dianhydro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[78.17; 224.21]	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			-6.65900e+01
Coefficient B			6.79600e-01
Coefficient C			-6.06400e-04
Coefficient D			2.17600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	78.17	J/mol×K	273.00	Calculated Property
Cp,gas	107.58	J/mol×K	353.78	Calculated Property
Cp,gas	132.08	J/mol×K	434.56	Calculated Property
Cp,gas	152.37	J/mol×K	515.33	Calculated Property
Cp,gas	169.14	J/mol×K	596.11	Calculated Property
Cp,gas	183.07	J/mol×K	676.89	Calculated Property
Cp,gas	194.86	J/mol×K	757.67	Calculated Property
Cp,gas	205.18	J/mol×K	838.44	Calculated Property
Cp,gas	214.74	J/mol×K	919.22	Calculated Property
Cp,gas	224.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006417; 0.0005713]	Pa×s	[276.15; 391.09]	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			-7.74661e+00
Coefficient B			1.09140e+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.			276.15
Temperature range, max.			391.09
η	0.0006417	Pa×s	276.15	Calculated Property
η	0.0006306	Pa×s	288.92	Calculated Property
η	0.0006206	Pa×s	301.69	Calculated Property
η	0.0006115	Pa×s	314.46	Calculated Property
η	0.0006033	Pa×s	327.24	Calculated Property
η	0.0005958	Pa×s	340.01	Calculated Property
η	0.0005889	Pa×s	352.78	Calculated Property
η	0.0005826	Pa×s	365.55	Calculated Property
η	0.0005767	Pa×s	378.32	Calculated Property
η	0.0005713	Pa×s	391.09	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-Bioxirane.

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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