- InChI
- InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
- InChI Key
- WKRBKYFIJPGYQC-DUXPYHPUSA-N
- Formula
- C6H8O4
- SMILES
- C/C(=C\C(=O)O)CC(=O)O
- Molecular Weight1
- 144.13
- Other Names
-
- 3-Methyl-delta
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 30.47 | kJ/mol | Joback Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.492 | Crippen Calculated Property | |
| McVol | 105.980 | ml/mol | McGowan Calculated Property |
| Pc | 4114.41 | kPa | Joback Calculated Property |
| Tboil | 533.12 | K | Relay (1.0) Calculated Property |
| Tc | 760.19 | K | Relay (1.0) Calculated Property |
| Tfus | 382.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 | [146.16; 319.58] | 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 | -7.23900e+00 | |||
| Coefficient B | 6.95320e-01 | |||
| Coefficient C | -5.33900e-04 | |||
| Coefficient D | 1.65400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 231.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 285.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 297.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 309.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 319.58 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-delta2-penten-1,5-dioic acid.
Sources
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