- InChI
- InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
- InChI Key
- HNEGQIOMVPPMNR-IHWYPQMZSA-N
- Formula
- C5H6O4
- SMILES
- CC(=CC(=O)O)C(=O)O
- Molecular Weight1
- 130.10
- CAS
- 7407-59-2
- Other Names
-
- 2-methyl-2-butenedioic acid
- 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° | -468.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.61 | kJ/mol | Joback Calculated Property |
| log10WS | 0.03 | Crippen Calculated Property | |
| logPoct/wat | 0.102 | Crippen Calculated Property | |
| McVol | 91.890 | ml/mol | McGowan Calculated Property |
| Pc | 5644.74 | kPa | Joback Calculated Property |
| Tboil | 609.94 | K | Joback Calculated Property |
| Tc | 793.59 | K | Joback Calculated Property |
| Tfus | 348.57 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.67; 239.29] | J/mol×K | [609.94; 793.59] | 
|
| Cp,gas | 210.67 | J/mol×K | 609.94 | Joback Calculated Property |
| Cp,gas | 216.17 | J/mol×K | 640.55 | Joback Calculated Property |
| Cp,gas | 221.35 | J/mol×K | 671.16 | Joback Calculated Property |
| Cp,gas | 226.24 | J/mol×K | 701.77 | Joback Calculated Property |
| Cp,gas | 230.85 | J/mol×K | 732.37 | Joback Calculated Property |
| Cp,gas | 235.19 | J/mol×K | 762.98 | Joback Calculated Property |
| Cp,gas | 239.29 | J/mol×K | 793.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citraconic acid.
Sources
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