- InChI
- InChI=1S/C6H6O5/c7-4(8)1-3-2-5(9)11-6(3)10/h3H,1-2H2,(H,7,8)
- InChI Key
- LYANEXCVXFZQFF-UHFFFAOYSA-N
- Formula
- C6H6O5
- SMILES
- O=C(O)CC1CC(=O)OC1=O
- Molecular Weight1
- 158.11
- CAS
- 4756-10-9
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.7042 | Relay (1.0) Calculated Property | |
| ΔfG° | -560.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.449 | Crippen Calculated Property | |
| McVol | 100.990 | ml/mol | McGowan Calculated Property |
| Pc | 5116.65 | kPa | Joback Calculated Property |
| Tboil | 561.94 | K | Relay (1.0) Calculated Property |
| Tc | 796.52 | K | Relay (1.0) Calculated Property |
| Tfus | 414.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.03; 322.75] | J/mol×K | [660.60; 883.40] | 
|
| Cp,gas | 273.03 | J/mol×K | 660.60 | Joback Calculated Property |
| Cp,gas | 282.98 | J/mol×K | 697.73 | Joback Calculated Property |
| Cp,gas | 292.31 | J/mol×K | 734.87 | Joback Calculated Property |
| Cp,gas | 301.00 | J/mol×K | 772.00 | Joback Calculated Property |
| Cp,gas | 309.00 | J/mol×K | 809.13 | Joback Calculated Property |
| Cp,gas | 316.26 | J/mol×K | 846.26 | Joback Calculated Property |
| Cp,gas | 322.75 | J/mol×K | 883.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanetricarboxylic acid, 1,2,3-, cyclic 1,2-anhydride.
Sources
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