- 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-
- Itaconic acid
- Methylenebutanedioic acid
- Methylenesuccinic acid
- Propylenedicarboxylic acid
- Succinic acid, methylene-
- methylene-1,4-butanedioic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.7811 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -1983.90 ± 0.50 | kJ/mol | NIST |
| ΔfG° | -460.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -690.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -841.11 ± 0.59 | kJ/mol | NIST |
| ΔfusH° | 17.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.23 | kJ/mol | Relay (1.0) 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 |
| Pc | 5560.87 | kPa | Joback Calculated Property |
| Tboil | 500.69 | K | Relay (1.0) Calculated Property |
| Tc | 746.36 | K | Relay (1.0) 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 |
| Vc | 0.325 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.91; 240.61] | J/mol×K | [602.46; 782.44] |
|
| Cp,gas | 211.91 | J/mol×K | 602.46 | Joback Calculated Property |
| Cp,gas | 217.40 | J/mol×K | 632.46 | Joback Calculated Property |
| Cp,gas | 222.59 | J/mol×K | 662.45 | Joback Calculated Property |
| Cp,gas | 227.50 | J/mol×K | 692.45 | Joback Calculated Property |
| Cp,gas | 232.13 | J/mol×K | 722.45 | Joback Calculated Property |
| Cp,gas | 236.50 | J/mol×K | 752.44 | Joback Calculated Property |
| Cp,gas | 240.61 | J/mol×K | 782.44 | 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- + Methyl Alcohol
- Ethanol + Butanedioic acid, methylene-
- 1-Propanol + Butanedioic acid, methylene-
- Acetonitrile + Butanedioic acid, methylene-
- Isopropyl Alcohol + Butanedioic acid, methylene-
- Butanedioic acid, methylene- + Ethyl Acetate
- Butanedioic acid, methylene- + Acetone
- Butanedioic acid, methylene- + Water
Sources
- Cheméo Relay (1.0)
- 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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