- InChI
- InChI=1S/C10H8N2O3/c1-5(13)11-7-4-2-3-6-8(7)10(15)12-9(6)14/h2-4H,1H3,(H,11,13)(H,12,14,15)
- InChI Key
- SJRJIOQDTLOAQV-UHFFFAOYSA-N
- Formula
- C10H8N2O3
- SMILES
- CC(=O)Nc1cccc2c1C(=O)NC2=O
- Molecular Weight1
- 204.18
- CAS
- 6118-65-6
- ω : Acentric Factor.
- 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).
- 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 | 0.7063 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 141.810 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Tboil | 603.17 | K | Relay (1.0) Calculated Property |
| Tc | 958.12 | K | Relay (1.0) Calculated Property |
| Tfus | 486.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.46; 442.23] | J/mol×K | [764.48; 1022.96] | 
|
| Cp,gas | 388.46 | J/mol×K | 764.48 | Joback Calculated Property |
| Cp,gas | 400.15 | J/mol×K | 807.56 | Joback Calculated Property |
| Cp,gas | 410.79 | J/mol×K | 850.64 | Joback Calculated Property |
| Cp,gas | 420.34 | J/mol×K | 893.72 | Joback Calculated Property |
| Cp,gas | 428.77 | J/mol×K | 936.80 | Joback Calculated Property |
| Cp,gas | 436.08 | J/mol×K | 979.88 | Joback Calculated Property |
| Cp,gas | 442.23 | J/mol×K | 1022.96 | Joback Calculated Property |
| ΔsubH | 108.50 | kJ/mol | 448.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Acetamidophthalimide.
Sources
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