Chemical Properties of 4H-1,3-Benzodioxin

InChI

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

InChI Key

TWSIYGATPWEKBK-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

c1ccc2c(c1)COCO2

Molecular Weight¹

136.15

Other Names

• 1,3-Benzodioxan

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[374.10; 483.50]	K	[2.70; 101.00]
Tboilr	374.10 ± 0.50	K	2.70	NIST
Tboilr	483.50 ± 0.50	K	101.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.61; 324.39]	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			-5.06500e+01
Coefficient B			7.87200e-01
Coefficient C			-5.76960e-04
Coefficient D			1.64800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.61	J/mol×K	273.00	Calculated Property
Cp,gas	162.93	J/mol×K	353.78	Calculated Property
Cp,gas	196.00	J/mol×K	434.56	Calculated Property
Cp,gas	224.35	J/mol×K	515.33	Calculated Property
Cp,gas	248.50	J/mol×K	596.11	Calculated Property
Cp,gas	268.96	J/mol×K	676.89	Calculated Property
Cp,gas	286.26	J/mol×K	757.67	Calculated Property
Cp,gas	300.91	J/mol×K	838.44	Calculated Property
Cp,gas	313.45	J/mol×K	919.22	Calculated Property
Cp,gas	324.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032952; 0.0003667]	Pa×s	[285.60; 504.59]	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			-1.07742e+01
Coefficient B			1.44484e+03
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.			285.60
Temperature range, max.			504.59
η	0.0032952	Pa×s	285.60	Calculated Property
η	0.0022151	Pa×s	309.93	Calculated Property
η	0.0015777	Pa×s	334.27	Calculated Property
η	0.0011766	Pa×s	358.60	Calculated Property
η	0.0009108	Pa×s	382.93	Calculated Property
η	0.0007270	Pa×s	407.26	Calculated Property
η	0.0005952	Pa×s	431.60	Calculated Property
η	0.0004978	Pa×s	455.93	Calculated Property
η	0.0004240	Pa×s	480.26	Calculated Property
η	0.0003667	Pa×s	504.59	Calculated Property

Similar Compounds

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

Sources

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

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