- InChI
- InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
- InChI Key
- UJMDYLWCYJJYMO-UHFFFAOYSA-N
- Formula
- C9H6O6
- SMILES
- O=C(O)c1cccc(C(=O)O)c1C(=O)O
- Molecular Weight1
- 210.14
- CAS
- 569-51-7
- Other Names
-
- Benzene-1,2,3-tricarboxylic acid
- Hemimellitic acid
- 1,2,3-Tricarboxybenzene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -3238.70 ± 0.84 | kJ/mol | NIST |
| ΔfG° | -679.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.93 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -1160.40 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 29.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.50 | kJ/mol | Joback Calculated Property |
| log10WS | -1.65 | Crippen Calculated Property | |
| logPoct/wat | 0.781 | Crippen Calculated Property | |
| McVol | 136.230 | ml/mol | McGowan Calculated Property |
| Pc | 5774.15 | kPa | Joback Calculated Property |
| Tboil | 880.11 | K | Joback Calculated Property |
| Tc | 1085.73 | K | Joback Calculated Property |
| Tfus | [372.00; 482.00] | K |
|
| Tfus | 372.00 ± 3.00 | K | NIST |
| Tfus | 482.00 ± 2.00 | K | NIST |
| Vc | 0.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.92; 389.82] | J/mol×K | [880.11; 1085.73] |
|
| Cp,gas | 366.92 | J/mol×K | 880.11 | Joback Calculated Property |
| Cp,gas | 371.82 | J/mol×K | 914.38 | Joback Calculated Property |
| Cp,gas | 376.27 | J/mol×K | 948.65 | Joback Calculated Property |
| Cp,gas | 380.27 | J/mol×K | 982.92 | Joback Calculated Property |
| Cp,gas | 383.85 | J/mol×K | 1017.19 | Joback Calculated Property |
| Cp,gas | 387.03 | J/mol×K | 1051.46 | Joback Calculated Property |
| Cp,gas | 389.82 | J/mol×K | 1085.73 | Joback Calculated Property |
| η | [0.0000014; 0.0000920] | Pa×s | [574.90; 880.11] |
|
| η | 0.0000920 | Pa×s | 574.90 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 625.77 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 676.64 | Joback Calculated Property |
| η | 0.0000072 | Pa×s | 727.50 | Joback Calculated Property |
| η | 0.0000038 | Pa×s | 778.37 | Joback Calculated Property |
| η | 0.0000022 | Pa×s | 829.24 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 880.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Benzenetricarboxylic acid.
Sources
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