- InChI
- InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3
- InChI Key
- AYKYXWQEBUNJCN-UHFFFAOYSA-N
- Formula
- C5H4O3
- SMILES
- CC1=CC(=O)OC1=O
- Molecular Weight1
- 112.08
- CAS
- 616-02-4
- Other Names
-
- Citraconic anhydride
- «alpha»-Methylmaleic anhydride
- Citraconic acid anhydride
- Methylmaleic anhydride
- Monomethylmaleic anhydride
- 2-Methylmaleic anhydride
- 3-Methylmaleic anhydride
- 3-Methyl-2,5-furandione
- Maleic anhydride, methyl-
- Anhydrid kyseliny citrakonove
- 2,5-Furanedione, 3-methyl
- NSC 6182
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4103 | Relay (1.0) Calculated Property | |
| ΔfG° | -275.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.70; 10.95] | eV |
|
| IE | 10.70 | eV | NIST |
| IE | 10.95 | eV | NIST |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.016 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Pc | 5080.25 | kPa | Joback Calculated Property |
| Inp | [941.00; 949.00] |
|
|
| Inp | 949.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 949.00 | NIST | |
| Tboil | 486.70 | K | NIST |
| Tc | 682.83 | K | Relay (1.0) Calculated Property |
| Tfus | 279.65 ± 1.50 | K | NIST |
| Vc | 0.276 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.49; 205.47] | J/mol×K | [500.48; 743.72] |
|
| Cp,gas | 155.49 | J/mol×K | 500.48 | Joback Calculated Property |
| Cp,gas | 164.63 | J/mol×K | 541.02 | Joback Calculated Property |
| Cp,gas | 173.51 | J/mol×K | 581.56 | Joback Calculated Property |
| Cp,gas | 182.10 | J/mol×K | 622.10 | Joback Calculated Property |
| Cp,gas | 190.32 | J/mol×K | 662.64 | Joback Calculated Property |
| Cp,gas | 198.13 | J/mol×K | 703.18 | Joback Calculated Property |
| Cp,gas | 205.47 | J/mol×K | 743.72 | Joback Calculated Property |
| ΔvapH | 53.30 | kJ/mol | 403.50 | NIST |
Similar Compounds
Find more compounds similar to 2,5-Furandione, 3-methyl-.
Sources
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