- InChI
- InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- InChI Key
- KQTIIICEAUMSDG-UHFFFAOYSA-N
- Formula
- C6H8O6
- SMILES
- O=C(O)CC(CC(=O)O)C(=O)O
- Molecular Weight1
- 176.12
- CAS
- 99-14-9
- Other Names
-
- 1,2,3-Propanetricarboxylic acid
- «beta»-Carboxyglutaric acid
- Carballylic acid
- Propane 1,2,3-tricarboxylic acid
- Tricarballylate
- 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° | -800.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -966.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.84 | kJ/mol | Joback Calculated Property |
| log10WS | 0.61 | Crippen Calculated Property | |
| logPoct/wat | -0.363 | Crippen Calculated Property | |
| McVol | 117.720 | ml/mol | McGowan Calculated Property |
| Pc | 5730.52 | kPa | Joback Calculated Property |
| Tboil | 774.39 | K | Joback Calculated Property |
| Tc | 958.00 | K | Joback Calculated Property |
| Tfus | 474.63 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.91; 347.93] | J/mol×K | [774.39; 958.00] | 
|
| Cp,gas | 320.91 | J/mol×K | 774.39 | Joback Calculated Property |
| Cp,gas | 326.27 | J/mol×K | 804.99 | Joback Calculated Property |
| Cp,gas | 331.27 | J/mol×K | 835.59 | Joback Calculated Property |
| Cp,gas | 335.93 | J/mol×K | 866.19 | Joback Calculated Property |
| Cp,gas | 340.25 | J/mol×K | 896.80 | Joback Calculated Property |
| Cp,gas | 344.25 | J/mol×K | 927.40 | Joback Calculated Property |
| Cp,gas | 347.93 | J/mol×K | 958.00 | Joback Calculated Property |
| η | [0.0000032; 0.0008139] | Pa×s | [474.63; 774.39] |
|
| η | 0.0008139 | Pa×s | 474.63 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 524.59 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 574.55 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 624.51 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 674.47 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 724.43 | Joback Calculated Property |
| η | 0.0000032 | Pa×s | 774.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tricarballylic acid.
Sources
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