- 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
- Other Names
-
- 1,2,3-Tricarboxybenzene
- Benzene-1,2,3-tricarboxylic acid
- Hemimellitic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0330 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3238.70 ± 0.84 | kJ/mol | NIST |
| ΔfG° | -913.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -974.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1160.40 ± 0.84 | kJ/mol | NIST |
| ΔfusH° | 42.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.781 | Crippen Calculated Property | |
| McVol | 136.230 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 565.81 | K | Relay (1.0) Calculated Property |
| Tc | 929.70 | K | Relay (1.0) Calculated Property |
| Tfus | [372.00; 482.00] | K |
|
| Tfus | 473.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 372.00 ± 3.00 | K | NIST |
| Tfus | 482.00 ± 2.00 | K | NIST |
| Vc | 0.499 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.12; 391.38] | 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 | 3.20000e+00 | |||
| Coefficient B | 8.13300e-01 | |||
| Coefficient C | -5.80720e-04 | |||
| Coefficient D | 1.55600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 225.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 259.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 289.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 335.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 353.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 380.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 391.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0050796; 0.0001799] | Pa×s | [442.38; 783.32] |
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 | -1.29582e+01 | |||
| Coefficient B | 3.39560e+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. | 442.38 | |||
| Temperature range, max. | 783.32 | |||
| η | 0.0050796 | Pa×s | 442.38 | Calculated Property |
| η | 0.0027726 | Pa×s | 480.26 | Calculated Property |
| η | 0.0016535 | Pa×s | 518.15 | Calculated Property |
| η | 0.0010580 | Pa×s | 556.03 | Calculated Property |
| η | 0.0007167 | Pa×s | 593.91 | Calculated Property |
| η | 0.0005087 | Pa×s | 631.79 | Calculated Property |
| η | 0.0003753 | Pa×s | 669.67 | Calculated Property |
| η | 0.0002861 | Pa×s | 707.55 | Calculated Property |
| η | 0.0002242 | Pa×s | 745.44 | Calculated Property |
| η | 0.0001799 | Pa×s | 783.32 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-BENZENETRICARBOXYLIC ACID.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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