- 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
- Benzoimide
- Ftalimmide
- Isoindol-1,3-dione: Folpet metabolite
- Isoindole-1,3-dione
- NSC 3108
- Phenylimide
- Phthalic dicarboximide
- Phthalimid
- o-Phthalic imide
- 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).
- 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).
- 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).
- 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 |
| ΔfG° | 30.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.80 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 106.30 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 51.81 | kJ/mol | Joback Calculated Property |
| 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. Sol... | |
| log10WS | -2.61 | Estimat... | |
| 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 | 609.70 | K | Joback Calculated Property |
| Tc | 879.30 | K | Joback Calculated Property |
| Tfus | 511.15 ± 1.00 | K | NIST |
| Vc | 0.385 | m3/kmol | Joback Calculated Property |
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
- Acetonitrile + Phthalimide
- Phthalimide + Methyl Alcohol
- Isopropyl Alcohol + Phthalimide
- 1-Propanol + Phthalimide
- Phthalimide + Ethyl Acetate
- 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
- 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. Take the time to validate and double check the source of the data.