- InChI
- InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,9H2,(H,10,11,12)
- InChI Key
- PXRKCOCTEMYUEG-UHFFFAOYSA-N
- Formula
- C8H6N2O2
- SMILES
- Nc1ccc2c(c1)C(=O)NC2=O
- Molecular Weight1
- 162.15
- CAS
- 3676-85-5
- Other Names
-
- 4-Aminophthalimide
- Phthalimide, 4-amino-
- Isoindole, 1,3(2H)-dione, 5-amino-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | 87.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -105.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.12 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Crippen Calculated Property | |
| logPoct/wat | 0.152 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 5327.93 | kPa | Joback Calculated Property |
| Tboil | 687.21 | K | Joback Calculated Property |
| Tc | 962.71 | K | Joback Calculated Property |
| Tfus | 578.29 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.25; 341.32] | J/mol×K | [687.21; 962.71] | 
|
| Cp,gas | 286.25 | J/mol×K | 687.21 | Joback Calculated Property |
| Cp,gas | 297.78 | J/mol×K | 733.13 | Joback Calculated Property |
| Cp,gas | 308.42 | J/mol×K | 779.04 | Joback Calculated Property |
| Cp,gas | 318.13 | J/mol×K | 824.96 | Joback Calculated Property |
| Cp,gas | 326.88 | J/mol×K | 870.88 | Joback Calculated Property |
| Cp,gas | 334.62 | J/mol×K | 916.79 | Joback Calculated Property |
| Cp,gas | 341.32 | J/mol×K | 962.71 | Joback Calculated Property |
| ΔsubH | 135.30 | kJ/mol | 471.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-Isoindole-1,3(2H)-dione, 5-amino-.
Sources
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