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_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).
• 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).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4036.70 ± 1.30	kJ/mol	NIST
ΔfH°gas	-165.37	kJ/mol	Relay (1.0) 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
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	1.458		Crippen Calculated Property
McVol	100.700	ml/mol	McGowan Calculated Property
I	1800.00		NIST
Tboil	483.68	K	Relay (1.0) Calculated Property
Tfus	343.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

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

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.