Chemical Properties of 1,4-BENZENEDICARBOXYLIC ACID, 2,3-DIHYDROXY-

InChI

InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)

InChI Key

OHLSHRJUBRUKAN-UHFFFAOYSA-N

Formula

C8H6O6

SMILES

O=C(O)c1ccc(C(=O)O)c(O)c1O

Molecular Weight¹

198.13

Other Names

• 2,3-Dihydroxyterephthalic acid

• 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).
• 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_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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.51; 376.89]	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			-3.26300e+01
Coefficient B			1.03620e+00
Coefficient C			-1.03348e-03
Coefficient D			4.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.51	J/mol×K	273.00	Calculated Property
Cp,gas	222.62	J/mol×K	353.78	Calculated Property
Cp,gas	255.88	J/mol×K	434.56	Calculated Property
Cp,gas	282.57	J/mol×K	515.33	Calculated Property
Cp,gas	303.99	J/mol×K	596.11	Calculated Property
Cp,gas	321.41	J/mol×K	676.89	Calculated Property
Cp,gas	336.12	J/mol×K	757.67	Calculated Property
Cp,gas	349.42	J/mol×K	838.44	Calculated Property
Cp,gas	362.58	J/mol×K	919.22	Calculated Property
Cp,gas	376.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000014; 0.0000011]	Pa×s	[763.50; 781.97]	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			-2.34531e+01
Coefficient B			7.60932e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			763.50
Temperature range, max.			781.97
η	0.0000014	Pa×s	763.50	Calculated Property
η	0.0000014	Pa×s	765.55	Calculated Property
η	0.0000013	Pa×s	767.61	Calculated Property
η	0.0000013	Pa×s	769.66	Calculated Property
η	0.0000012	Pa×s	771.71	Calculated Property
η	0.0000012	Pa×s	773.76	Calculated Property
η	0.0000012	Pa×s	775.82	Calculated Property
η	0.0000012	Pa×s	777.87	Calculated Property
η	0.0000011	Pa×s	779.92	Calculated Property
η	0.0000011	Pa×s	781.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-BENZENEDICARBOXYLIC ACID, 2,3-DIHYDROXY-.

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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