- InChI
- InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3
- InChI Key
- ZOXBWJMCXHTKNU-UHFFFAOYSA-N
- Formula
- C9H6O3
- SMILES
- Cc1ccc2c(c1)C(=O)OC2=O
- Molecular Weight1
- 162.14
- Other Names
-
- 1,3-Isobenzofurandione, 5-methyl-
- 5-methylisobenzofuran-1,3-dione
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : 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).
- Pc : Critical 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 |
|---|---|---|---|
| EA | 1.19 ± 0.09 | eV | NIST |
| ΔfH°gas | -425.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.47 | kJ/mol | Joback Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.306 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 578.44 | K | Relay (1.0) Calculated Property |
| Tc | 816.73 | K | Relay (1.0) Calculated Property |
| Tfus | 361.30 | K | Solid-Liquid Phase Equilibria of the Ternary System (2-Naphthaldehyde + 4-Methylphthalic Anhydride + Ethyl Acetate) at (288.15, 298.15, and 308.15) K |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.03; 335.80] | 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 | 5.30000e+00 | |||
| Coefficient B | 6.34420e-01 | |||
| Coefficient C | -3.92720e-04 | |||
| Coefficient D | 8.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 184.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 214.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 282.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 299.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 313.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 325.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 335.80 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylphthalic anhydride.
Mixtures
- 4-Methylphthalic anhydride + Ethyl Acetate
- 2-Naphthalenecarboxaldehyde + 4-Methylphthalic anhydride + Ethyl Acetate
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solid-Liquid Phase Equilibria of the Ternary System (2-Naphthaldehyde + 4-Methylphthalic Anhydride + Ethyl Acetate) at (288.15, 298.15, and 308.15) K
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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