- InChI
- InChI=1S/C9H6O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-4H,1H3
- InChI Key
- TWWAWPHAOPTQEU-UHFFFAOYSA-N
- Formula
- C9H6O3
- SMILES
- Cc1cccc2c1C(=O)OC2=O
- Molecular Weight1
- 162.14
- CAS
- 4792-30-7
- Other Names
-
- 3-Methyl phthalic anhydride
- Phthalic anhydride, 3-methyl-
- 2,3-Toluenedicarboxylic anhydride
- 4-Methyl isobenzofurandione
- 4-Methyl-1,3-isobenzofurandione
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| EA | 1.22 ± 0.09 | eV | NIST |
| ΔfG° | -144.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.45 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 1.306 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 4124.99 | kPa | Joback Calculated Property |
| Inp | 241.23 | NIST | |
| Tboil | 615.96 | K | Joback Calculated Property |
| Tc | 873.64 | K | Joback Calculated Property |
| Tfus | 427.84 | K | Joback Calculated Property |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.44; 331.09] | J/mol×K | [615.96; 873.64] | 
|
| Cp,gas | 270.44 | J/mol×K | 615.96 | Joback Calculated Property |
| Cp,gas | 282.51 | J/mol×K | 658.91 | Joback Calculated Property |
| Cp,gas | 293.82 | J/mol×K | 701.85 | Joback Calculated Property |
| Cp,gas | 304.35 | J/mol×K | 744.80 | Joback Calculated Property |
| Cp,gas | 314.08 | J/mol×K | 787.75 | Joback Calculated Property |
| Cp,gas | 323.00 | J/mol×K | 830.69 | Joback Calculated Property |
| Cp,gas | 331.09 | J/mol×K | 873.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Isobenzofurandione, 4-methyl-.
Sources
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