Chemical Properties of 1,4-Benzodioxin (CAS 255-37-8)

InChI

InChI=1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H

InChI Key

HPARLNRMYDSBNO-UHFFFAOYSA-N

Formula

C8H6O2

SMILES

C1=COc2ccccc2O1

Molecular Weight¹

134.13

CAS

255-37-8

• 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).
• 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).
• 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

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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.13; 293.09]	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			-4.28700e+01
Coefficient B			7.31200e-01
Coefficient C			-5.64240e-04
Coefficient D			1.69000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.13	J/mol×K	273.00	Calculated Property
Cp,gas	152.68	J/mol×K	353.78	Calculated Property
Cp,gas	182.20	J/mol×K	434.56	Calculated Property
Cp,gas	207.23	J/mol×K	515.33	Calculated Property
Cp,gas	228.30	J/mol×K	596.11	Calculated Property
Cp,gas	245.96	J/mol×K	676.89	Calculated Property
Cp,gas	260.73	J/mol×K	757.67	Calculated Property
Cp,gas	273.16	J/mol×K	838.44	Calculated Property
Cp,gas	283.76	J/mol×K	919.22	Calculated Property
Cp,gas	293.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025598; 0.0003598]	Pa×s	[291.42; 505.80]	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			-1.05972e+01
Coefficient B			1.34908e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			291.42
Temperature range, max.			505.80
η	0.0025598	Pa×s	291.42	Calculated Property
η	0.0018042	Pa×s	315.24	Calculated Property
η	0.0013357	Pa×s	339.06	Calculated Property
η	0.0010287	Pa×s	362.88	Calculated Property
η	0.0008182	Pa×s	386.70	Calculated Property
η	0.0006682	Pa×s	410.52	Calculated Property
η	0.0005580	Pa×s	434.34	Calculated Property
η	0.0004748	Pa×s	458.16	Calculated Property
η	0.0004105	Pa×s	481.98	Calculated Property
η	0.0003598	Pa×s	505.80	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzodioxin.

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

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