- 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
- 498-23-7
- Other Names
-
- Citraconic acid
- Methylmaleic acid
- cis-Methylbutenedioic acid
- Maleic acid, methyl-
- Kyselina citrakonova
- 2-Methyl-2-butenedioic acid
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7558 | Relay (1.0) Calculated Property | |
| ΔfG° | -468.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.102 | Crippen Calculated Property | |
| McVol | 91.890 | ml/mol | McGowan Calculated Property |
| Pc | 5644.74 | kPa | Joback Calculated Property |
| Inp | 1222.00 | NIST | |
| Tboil | 507.55 | K | Relay (1.0) Calculated Property |
| Tc | 731.05 | K | Relay (1.0) Calculated Property |
| Tfus | [356.15; 356.40] | K |
|
| Tfus | 356.40 ± 0.60 | K | NIST |
| Tfus | 356.15 ± 0.70 | K | NIST |
| Vc | 0.320 | m3/kmol | Relay (1.0) 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 2-Butenedioic acid, 2-methyl-, (Z)-.
Sources
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