- InChI
- InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
- InChI Key
- CYIDZMCFTVVTJO-UHFFFAOYSA-N
- Formula
- C10H6O8
- SMILES
-
O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1
C(=O)O - Molecular Weight1
- 254.15
- CAS
- 89-05-4
- Other Names
-
- 1,2,4,5-benzenetetracarboxylic acid
- 1,2,4,5-tetracarboxybenzene
- Benzene-1,2,4,5-tetracarboxylic acid
- USAF xr-20
- pyromellitic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3221.80 ± 0.88 | kJ/mol | NIST |
| ΔfH°gas | -1357.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1570.80 ± 0.88 | kJ/mol | NIST |
| ΔfusH° | 55.10 | kJ/mol | Joback Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.479 | Crippen Calculated Property | |
| McVol | 157.760 | ml/mol | McGowan Calculated Property |
| Tboil | 587.83 | K | Relay (1.0) Calculated Property |
| Tc | 989.16 | K | Relay (1.0) Calculated Property |
| Tfus | [544.15; 552.40] | K |
|
| Tfus | 552.40 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 544.15 ± 2.00 | K | NIST |
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 | [222.50; 450.71] | 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 | 2.11900e+01 | |||
| Coefficient B | 8.99600e-01 | |||
| Coefficient C | -6.40680e-04 | |||
| Coefficient D | 1.70600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 305.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 337.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 365.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 389.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 425.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 439.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 450.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023388; 0.0001101] | Pa×s | [548.27; 911.16] |
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 | -1.37321e+01 | |||
| Coefficient B | 4.20744e+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. | 548.27 | |||
| Temperature range, max. | 911.16 | |||
| η | 0.0023388 | Pa×s | 548.27 | Calculated Property |
| η | 0.0013826 | Pa×s | 588.60 | Calculated Property |
| η | 0.0008743 | Pa×s | 628.92 | Calculated Property |
| η | 0.0005843 | Pa×s | 669.24 | Calculated Property |
| η | 0.0004088 | Pa×s | 709.56 | Calculated Property |
| η | 0.0002972 | Pa×s | 749.88 | Calculated Property |
| η | 0.0002232 | Pa×s | 790.20 | Calculated Property |
| η | 0.0001723 | Pa×s | 830.52 | Calculated Property |
| η | 0.0001363 | Pa×s | 870.84 | Calculated Property |
| η | 0.0001101 | Pa×s | 911.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,5-Benzene-tetracarboxylic acid.
Mixtures
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)
- 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
- The solubilities of benzene polycarboxylic acids in water
- Joback Method
- McGowan Method
- NIST Webbook
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