- InChI
- InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
- InChI Key
- XKJCHHZQLQNZHY-UHFFFAOYSA-N
- Formula
- C8H5NO2
- SMILES
- O=C1NC(=O)c2ccccc21
- Molecular Weight1
- 147.13
- CAS
- 85-41-6
- Other Names
-
- 1,2-benzenedicarboximide
- 1,3-Dihydro-2H-isoindole-1,3-dione
- 1,3-Isoindoledione
- 1,3-isoindolinedione
- 1H-isoindole-1,3(2H)-dione
- 2-diazoindan-1,3-dione
- Ftalimmide
- Isoindol-1,3-dione: Folpet metabolite
- NSC 3108
- Phthalic dicarboximide
- Phthalimid
- benzoimide
- isoindole-1,3-dione
- o-Phthalic imide
- phenylimide
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 | 1.01 ± 0.09 | eV | NIST |
| ΔfH°gas | -224.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.80 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 106.30 ± 1.30 | kJ/mol | NIST |
| IE | [9.78; 9.90] | eV |
|
| IE | 9.90 | eV | NIST |
| IE | 9.78 ± 0.05 | eV | NIST |
| log10WS | [-2.61; -2.61] |
|
|
| log10WS | -2.61 | Aq. Solubility Prediction | |
| log10WS | -2.61 | Estimated Solubility | |
| logPoct/wat | 0.570 | Crippen Calculated Property | |
| McVol | 102.080 | ml/mol | McGowan Calculated Property |
| Pc | 5015.69 | kPa | Joback Calculated Property |
| Inp | 251.70 | NIST | |
| Tboil | 581.55 | K | Relay (1.0) Calculated Property |
| Tc | 862.02 | K | Relay (1.0) Calculated Property |
| Tfus | 511.15 ± 1.00 | K | NIST |
| Vc | 0.380 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.95; 296.64] | J/mol×K | [609.70; 879.30] |
|
| Cp,gas | 236.95 | J/mol×K | 609.70 | Joback Calculated Property |
| Cp,gas | 248.95 | J/mol×K | 654.63 | Joback Calculated Property |
| Cp,gas | 260.16 | J/mol×K | 699.57 | Joback Calculated Property |
| Cp,gas | 270.56 | J/mol×K | 744.50 | Joback Calculated Property |
| Cp,gas | 280.12 | J/mol×K | 789.43 | Joback Calculated Property |
| Cp,gas | 288.83 | J/mol×K | 834.36 | Joback Calculated Property |
| Cp,gas | 296.64 | J/mol×K | 879.30 | Joback Calculated Property |
| ΔfusH | 28.60 | kJ/mol | 507.20 | NIST |
| ΔsubH | [82.80; 104.00] | kJ/mol | [356.00; 398.00] |
|
| ΔsubH | 104.00 ± 0.40 | kJ/mol | 356.00 | NIST |
| ΔsubH | 82.80 | kJ/mol | 398.00 | NIST |
Similar Compounds
Find more compounds similar to Phthalimide.
Mixtures
- Phthalimide + Methyl Alcohol
- 2-Propanol + Phthalimide
- 1-Propanol + Phthalimide
- Phthalimide + Ethyl Acetate
- Acetonitrile + Phthalimide
- Phthalimide + 1-Propanol, 2-methyl-
- Phthalimide + 1-Butanol
- Toluene + Phthalimide
- Phthalimide + Acetone
- Phthalimide + Ethanol
- Acetonitrile + Phthalimide + Methyl Alcohol
- Phthalimide + Acetone + Methyl Alcohol
- Phthalimide + Ethyl Acetate + Methyl Alcohol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solubility modelling and thermodynamic dissolution functions of phthalimide in ten organic solvents
- Solubility determination and modelling for phthalimide in mixed solvents of (acetone, ethyl acetate or acetonitrile + methanol) from (278.15 to 313.15) K
- Research on Dissolution Capability of Several Antofloxacin Salts
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility 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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