- 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
- CAS
- 19829-72-2
- Other Names
-
- 2,3-Dihydroxyterephthalic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -721.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.22 | kJ/mol | Joback Calculated Property |
| log10WS | -0.69 | Crippen Calculated Property | |
| logPoct/wat | 0.494 | Crippen Calculated Property | |
| McVol | 126.440 | ml/mol | McGowan Calculated Property |
| Pc | 8866.47 | kPa | Joback Calculated Property |
| Tboil | 867.44 | K | Joback Calculated Property |
| Tc | 1086.85 | K | Joback Calculated Property |
| Tfus | 663.80 | K | Joback Calculated Property |
| Vc | 0.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.55; 387.69] | J/mol×K | [867.44; 1086.85] | 
|
| Cp,gas | 348.55 | J/mol×K | 867.44 | Joback Calculated Property |
| Cp,gas | 354.44 | J/mol×K | 904.01 | Joback Calculated Property |
| Cp,gas | 360.44 | J/mol×K | 940.58 | Joback Calculated Property |
| Cp,gas | 366.66 | J/mol×K | 977.15 | Joback Calculated Property |
| Cp,gas | 373.21 | J/mol×K | 1013.72 | Joback Calculated Property |
| Cp,gas | 380.18 | J/mol×K | 1050.29 | Joback Calculated Property |
| Cp,gas | 387.69 | J/mol×K | 1086.85 | Joback Calculated Property |
| η | [2.3192351e-08; 0.0000008] | Pa×s | [663.80; 867.44] |
|
| η | 0.0000008 | Pa×s | 663.80 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 697.74 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 731.68 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 765.62 | Joback Calculated Property |
| η | 6.1733088e-08 | Pa×s | 799.56 | Joback Calculated Property |
| η | 3.7091542e-08 | Pa×s | 833.50 | Joback Calculated Property |
| η | 2.3192351e-08 | Pa×s | 867.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-.
Sources
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