- 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
- CC(=CC(=O)O)CC(=O)O
- Molecular Weight1
- 144.13
- CAS
- 5746-90-7
- Other Names
-
- 3-Methyl-delta
- 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).
- 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° | -460.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.84 | kJ/mol | Joback Calculated Property |
| log10WS | -0.39 | Crippen Calculated Property | |
| logPoct/wat | 0.492 | Crippen Calculated Property | |
| McVol | 105.980 | ml/mol | McGowan Calculated Property |
| Pc | 4910.80 | kPa | Joback Calculated Property |
| Tboil | 632.82 | K | Joback Calculated Property |
| Tc | 814.94 | K | Joback Calculated Property |
| Tfus | 359.84 | K | Joback Calculated Property |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.25; 288.83] | J/mol×K | [632.82; 814.94] | 
|
| Cp,gas | 255.25 | J/mol×K | 632.82 | Joback Calculated Property |
| Cp,gas | 261.67 | J/mol×K | 663.17 | Joback Calculated Property |
| Cp,gas | 267.73 | J/mol×K | 693.53 | Joback Calculated Property |
| Cp,gas | 273.46 | J/mol×K | 723.88 | Joback Calculated Property |
| Cp,gas | 278.88 | J/mol×K | 754.23 | Joback Calculated Property |
| Cp,gas | 283.99 | J/mol×K | 784.58 | Joback Calculated Property |
| Cp,gas | 288.83 | J/mol×K | 814.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-delta^2-penten-1,5-dioic acid.
Sources
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