- 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
- CAS
- 19438-61-0
- Other Names
-
- 1,3-Isobenzofurandione, 5-methyl-
- 5-methylisobenzofuran-1,3-dione
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5623 | Relay (1.0) Calculated Property | |
| EA | 1.19 ± 0.09 | eV | NIST |
| ΔfG° | -144.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.63 | kJ/mol | Relay (1.0) 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 | 4124.99 | kPa | Joback Calculated Property |
| Tboil | 578.44 | K | Relay (1.0) Calculated Property |
| Tc | 813.72 | 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 | 0.429 | m3/kmol | Relay (1.0) 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 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
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