- InChI
- InChI=1S/C8H10O4/c1-5(7(9)10)3-4-6(2)8(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)/b5-3+,6-4+
- InChI Key
- HVMNFKUBOVSQCO-GGWOSOGESA-N
- Formula
- C8H10O4
- SMILES
- CC(=CC=C(C)C([O])=O)C([O])=O
- Molecular Weight1
- 170.16
- CAS
- 20514-41-4
- Other Names
-
- 2,5-Dimethyl-2,4-hexadienedioic acid
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6245 | Relay (1.0) Calculated Property | |
| ΔfG° | -348.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -690.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.793 | Crippen Calculated Property | |
| McVol | 125.560 | ml/mol | McGowan Calculated Property |
| Pc | 3525.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 495.84 | K | Relay (1.0) Calculated Property |
| Tc | 696.22 | K | Relay (1.0) Calculated Property |
| Tfus | 371.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to α,α'-Dimethylmuconic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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