Chemical Properties of Butane, 1,2:3,4-diepoxy-, (.+/-.)- (CAS 298-18-0)

InChI

InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2/t3-,4-/m0/s1

InChI Key

ZFIVKAOQEXOYFY-IMJSIDKUSA-N

Formula

C4H6O2

SMILES

C1OC1C1CO1

Molecular Weight¹

86.09

CAS

298-18-0

Other Names

• 2,2'-Bioxirane, (R*,R*)-(.+/-.)-
• (.+/-.)-1,2:3,4-Diepoxybutane
• Butane, 1,2:3,4-diepoxy-, DL-
• DL-Diepoxybutane
• Butadiene diepoxide, dl-
• Butane, (.+/-.)-1,2:3,4-diepoxy-
• (R*,R*)-(.+/-.)-2,2'-Bioxirane
• dl-Butadiene dioxide
• 1,2:3,4-Dianhydro-dl-threitol
• dl-1,2:3,4-Diepoxybutane
• 1,2:3,4-Diepoxybutane, dl-
• 2,2'-Bioxirane, (2R,2'R)-rel-
• 1,2,3,4-diepoxybutane

• 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_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.3531		Relay (1.0) Calculated Property
ΔfG°	-67.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-168.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.34	kJ/mol	Joback Calculated Property
ΔvapH°	46.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-0.98		Relay (1.0) Calculated Property
logPoct/wat	-0.216		Crippen Calculated Property
McVol	57.240	ml/mol	McGowan Calculated Property
Pc	5406.57	kPa	Joback Calculated Property
Tboil	[417.20; 417.60]	K
Tboil	417.20	K	NIST
Tboil	417.60	K	NIST
Tc	588.12	K	Relay (1.0) Calculated Property
Tfus	[260.40; 277.00]	K
Tfus	277.00	K	NIST
Tfus	260.40 ± 0.60	K	NIST
Vc	0.260	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[317.60; 330.20]	K	[1.80; 3.30]
Tboilr	317.60	K	1.80	NIST
Tboilr	330.20	K	3.30	NIST

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	[0.0006488; 0.0005713]	Pa×s	[268.70; 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.			268.70
Temperature range, max.			391.09
η	0.0006488	Pa×s	268.70	Calculated Property
η	0.0006362	Pa×s	282.30	Calculated Property
η	0.0006250	Pa×s	295.90	Calculated Property
η	0.0006149	Pa×s	309.50	Calculated Property
η	0.0006059	Pa×s	323.10	Calculated Property
η	0.0005977	Pa×s	336.70	Calculated Property
η	0.0005902	Pa×s	350.30	Calculated Property
η	0.0005834	Pa×s	363.89	Calculated Property
η	0.0005771	Pa×s	377.49	Calculated Property
η	0.0005713	Pa×s	391.09	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,2:3,4-diepoxy-, (.+/-.)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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