- InChI
- InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
- InChI Key
- OFNISBHGPNMTMS-UHFFFAOYSA-N
- Formula
- C5H4O3
- SMILES
- C=C1CC(=O)OC1=O
- Molecular Weight1
- 112.08
- CAS
- 2170-03-8
- Other Names
-
- 2-Methylenesuccinic anhydride
- Dihydro-3-methylene-2,5-furandione
- Itaconic acid anhydride
- Itaconic anhydride
- Methylenesuccinic anhydride
- Succinic anhydride, methylene-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -386.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.50; 10.68] | eV |
|
| IE | 10.50 | eV | NIST |
| IE | 10.68 | eV | NIST |
| logPoct/wat | 0.016 | Crippen Calculated Property | |
| McVol | 75.160 | ml/mol | McGowan Calculated Property |
| Inp | 967.00 | NIST | |
| Ip | [1680.00; 1680.00] |
|
|
| Ip | 1680.00 | NIST | |
| Ip | 1680.00 | NIST | |
| Tboil | 485.75 | K | Relay (1.0) Calculated Property |
| Tfus | [341.15; 342.65] | K |
|
| Tfus | 342.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 341.15 ± 1.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [387.70; 412.70] | K | [1.60; 4.00] |
|
| Tboilr | 387.70 | K | 1.60 | NIST |
| Tboilr | 412.70 | K | 4.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [105.06; 225.69] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.62900e+01 | |||
| Coefficient B | 3.15600e-01 | |||
| Coefficient C | -9.28000e-05 | |||
| Coefficient D | -2.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 105.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 143.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 161.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 176.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 190.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 201.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 211.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 219.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 225.69 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Furandione, dihydro-3-methylene-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Joback Method
- McGowan Method
- NIST Webbook
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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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