Chemical Properties of 1,4-Benzodioxin, 2,3-dihydro- (CAS 493-09-4)

InChI

InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

InChI Key

BNBQRQQYDMDJAH-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

c1ccc2c(c1)OCCO2

Molecular Weight¹

136.15

CAS

493-09-4

Other Names

• 1,4-Benzodioxan
• Benzene, 1,2-[1,2-ethanediylbis(oxy)]-
• Ethylene o-phenylene dioxide
• Pyrocatechol ethylene ether
• 1,2-(Ethylenedioxy)benzene
• 1,4-Benzodioxane
• 1,4-Dioxatetralin

• 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_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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• I : Polar retention indices.
• 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
ΔcH°liquid	-4036.70 ± 1.30	kJ/mol	NIST
ΔfG°	3.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-160.41	kJ/mol	Joback Calculated Property
ΔfusH°	21.05	kJ/mol	Joback Calculated Property
ΔvapH°	[50.42; 67.40]	kJ/mol
ΔvapH°	67.40 ± 1.70	kJ/mol	NIST
ΔvapH°	50.42	kJ/mol	NIST
log10WS	-1.61		Crippen Calculated Property
logPoct/wat	1.458		Crippen Calculated Property
McVol	100.700	ml/mol	McGowan Calculated Property
Pc	4444.44	kPa	Joback Calculated Property
I	1800.00		NIST
Tboil	483.68	K	Joback Calculated Property
Tc	720.55	K	Joback Calculated Property
Tfus	290.66	K	Joback Calculated Property
Vc	0.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.77; 278.67]	J/mol×K	[483.68; 720.55]
Cp,gas	213.77	J/mol×K	483.68	Joback Calculated Property
Cp,gas	226.87	J/mol×K	523.16	Joback Calculated Property
Cp,gas	238.97	J/mol×K	562.64	Joback Calculated Property
Cp,gas	250.14	J/mol×K	602.12	Joback Calculated Property
Cp,gas	260.44	J/mol×K	641.59	Joback Calculated Property
Cp,gas	269.93	J/mol×K	681.07	Joback Calculated Property
Cp,gas	278.67	J/mol×K	720.55	Joback Calculated Property
η	[0.0004151; 0.0030174]	Pa×s	[290.66; 483.68]
η	0.0030174	Pa×s	290.66	Joback Calculated Property
η	0.0018387	Pa×s	322.83	Joback Calculated Property
η	0.0012257	Pa×s	355.00	Joback Calculated Property
η	0.0008740	Pa×s	387.17	Joback Calculated Property
η	0.0006564	Pa×s	419.34	Joback Calculated Property
η	0.0005135	Pa×s	451.51	Joback Calculated Property
η	0.0004151	Pa×s	483.68	Joback Calculated Property
ΔvapH	50.40	kJ/mol	443.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,4-Benzodioxin, 2,3-dihydro-.

Sources

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

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