Chemical Properties of 1,4-benzodioxan-2-carboxylic acid

InChI

InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)

InChI Key

HMBHAQMOBKLWRX-UHFFFAOYSA-N

Formula

C9H8O4

SMILES

O=C(O)C1COc2ccccc2O1

Molecular Weight¹

180.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.97; 376.67]	J/mol×K	[647.60; 891.17]
Cp,gas	321.97	J/mol×K	647.60	Joback Calculated Property
Cp,gas	333.19	J/mol×K	688.19	Joback Calculated Property
Cp,gas	343.48	J/mol×K	728.79	Joback Calculated Property
Cp,gas	352.90	J/mol×K	769.38	Joback Calculated Property
Cp,gas	361.52	J/mol×K	809.98	Joback Calculated Property
Cp,gas	369.42	J/mol×K	850.57	Joback Calculated Property
Cp,gas	376.67	J/mol×K	891.17	Joback Calculated Property
η	[0.0003930; 0.0014624]	Pa×s	[458.29; 647.60]
η	0.0014624	Pa×s	458.29	Joback Calculated Property
η	0.0010948	Pa×s	489.84	Joback Calculated Property
η	0.0008488	Pa×s	521.39	Joback Calculated Property
η	0.0006774	Pa×s	552.95	Joback Calculated Property
η	0.0005540	Pa×s	584.50	Joback Calculated Property
η	0.0004625	Pa×s	616.05	Joback Calculated Property
η	0.0003930	Pa×s	647.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-benzodioxan-2-carboxylic acid.

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
• Experimental and computational thermochemistry of 1,4-benzodioxan and its 2-R derivatives
• Joback Method
• McGowan Method

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