- InChI
- InChI=1S/C5H4O3/c6-3-1-4(7)5(8)2-3/h1-2H2
- InChI Key
- PLIKDTHMOISVIW-UHFFFAOYSA-N
- Formula
- C5H4O3
- SMILES
- O=C1CC(=O)C(=O)C1
- Molecular Weight1
- 112.08
- CAS
- 15849-14-6
- 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 | 0.4524 | Relay (... Calculated Property | |
| ΔfG° | -332.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.74 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 0.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.84 | eV | Relay (... Calculated Property |
| log10WS | -0.14 | Relay (... Calculated Property | |
| logPoct/wat | -0.512 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 5251.00 | kPa | Joback Calculated Property |
| Tboil | 476.59 | K | Relay (... Calculated Property |
| Tc | 734.22 | K | Relay (... Calculated Property |
| Tfus | 452.42 | K | Relay (... Calculated Property |
| Vc | 0.262 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.47; 224.70] | J/mol×K | [537.21; 796.51] | 
|
| Cp,gas | 164.47 | J/mol×K | 537.21 | Joback Calculated Property |
| Cp,gas | 175.68 | J/mol×K | 580.43 | Joback Calculated Property |
| Cp,gas | 186.57 | J/mol×K | 623.64 | Joback Calculated Property |
| Cp,gas | 197.03 | J/mol×K | 666.86 | Joback Calculated Property |
| Cp,gas | 206.94 | J/mol×K | 710.08 | Joback Calculated Property |
| Cp,gas | 216.20 | J/mol×K | 753.30 | Joback Calculated Property |
| Cp,gas | 224.70 | J/mol×K | 796.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4-Cyclopentanetrione.
Sources
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