- InChI
- InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
- InChI Key
- LVHBHZANLOWSRM-UHFFFAOYSA-N
- Formula
- C5H6O4
- SMILES
- C=C(CC(=O)O)C(=O)O
- Molecular Weight1
- 130.10
- CAS
- 97-65-4
- Other Names
-
- 2-Propene-1,2-dicarboxylic acid
- 3-carboxy-3-butenoic acid
- Butanedioic acid, 2-methylene-
- Propylenedicarboxylic acid
- Succinic acid, methylene-
- itaconic acid
- methylene-1,4-butanedioic acid
- methylenebutanedioic acid
- methylenesuccinic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Pvap : Vapor pressure (kPa).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -1983.90 ± 0.50 | kJ/mol | NIST |
| ΔfH°solid | -841.11 ± 0.59 | kJ/mol | NIST |
| ΔfusH° | 26.40 | kJ/mol | Joback Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.22 | Aq. Solubility Prediction | |
| logPoct/wat | 0.102 | Crippen Calculated Property | |
| McVol | 91.890 | ml/mol | McGowan Calculated Property |
| Tfus | [438.25; 440.15] | K |
|
| Tfus | 440.15 | K | Solubility of itaconic acid in different organic solvents: Experimental measurement and thermodynamic modeling |
| Tfus | 438.25 ± 1.00 | K | NIST |
| Tfus | 439.00 ± 0.70 | K | NIST |
| Tfus | 438.25 ± 1.00 | K | NIST |
| Tfus | 439.00 ± 0.70 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.32; 250.46] | J/mol×K | [601.58; 816.19] |
|
| Cp,gas | 217.32 | J/mol×K | 601.58 | Joback Calculated Property |
| Cp,gas | 223.90 | J/mol×K | 637.35 | Joback Calculated Property |
| Cp,gas | 230.01 | J/mol×K | 673.12 | Joback Calculated Property |
| Cp,gas | 235.69 | J/mol×K | 708.89 | Joback Calculated Property |
| Cp,gas | 240.97 | J/mol×K | 744.66 | Joback Calculated Property |
| Cp,gas | 245.88 | J/mol×K | 780.42 | Joback Calculated Property |
| Cp,gas | 250.46 | J/mol×K | 816.19 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [473.15; 554.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.68658e+01 | |||
| Coefficient B | -9.28405e+03 | |||
| Coefficient C | -1.23842e+02 | |||
| Temperature range, min. | 473.15 | |||
| Temperature range, max. | 554.57 | |||
| Pvap | 1.33 | kPa | 473.15 | Calculated Property |
| Pvap | 2.61 | kPa | 482.20 | Calculated Property |
| Pvap | 4.93 | kPa | 491.24 | Calculated Property |
| Pvap | 9.06 | kPa | 500.29 | Calculated Property |
| Pvap | 16.16 | kPa | 509.34 | Calculated Property |
| Pvap | 28.07 | kPa | 518.38 | Calculated Property |
| Pvap | 47.56 | kPa | 527.43 | Calculated Property |
| Pvap | 78.76 | kPa | 536.48 | Calculated Property |
| Pvap | 127.62 | kPa | 545.52 | Calculated Property |
| Pvap | 202.65 | kPa | 554.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, methylene-.
Mixtures
- Butanedioic acid, methylene- + Water
- Butanedioic acid, methylene- + Methyl Alcohol
- Ethanol + Butanedioic acid, methylene-
- 1-Propanol + Butanedioic acid, methylene-
- Acetonitrile + Butanedioic acid, methylene-
- 2-Propanol + Butanedioic acid, methylene-
- Butanedioic acid, methylene- + Ethyl Acetate
- Butanedioic acid, methylene- + Acetone
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
- Solubility of itaconic acid in different organic solvents: Experimental measurement and thermodynamic modeling
- Volumetric properties of itaconic acid aqueous solutions
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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