- InChI
- InChI=1S/C9H8N2O2/c1-10-6-4-2-3-5-7(6)9(13)11-8(5)12/h2-4,10H,1H3,(H,11,12,13)
- InChI Key
- NHDLTFGXURCZMY-UHFFFAOYSA-N
- Formula
- C9H8N2O2
- SMILES
- CNc1cccc2c1C(=O)NC2=O
- Molecular Weight1
- 176.17
- CAS
- 5972-09-8
- 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 | 0.6462 | Relay (1.0) Calculated Property | |
| ΔfG° | 118.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.612 | Crippen Calculated Property | |
| McVol | 126.150 | ml/mol | McGowan Calculated Property |
| Pc | 4385.77 | kPa | Joback Calculated Property |
| Tboil | 598.60 | K | Relay (1.0) Calculated Property |
| Tc | 933.08 | K | Relay (1.0) Calculated Property |
| Tfus | 499.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.48; 390.38] | J/mol×K | [687.73; 947.49] | 
|
| Cp,gas | 328.48 | J/mol×K | 687.73 | Joback Calculated Property |
| Cp,gas | 341.18 | J/mol×K | 731.02 | Joback Calculated Property |
| Cp,gas | 352.97 | J/mol×K | 774.32 | Joback Calculated Property |
| Cp,gas | 363.80 | J/mol×K | 817.61 | Joback Calculated Property |
| Cp,gas | 373.67 | J/mol×K | 860.90 | Joback Calculated Property |
| Cp,gas | 382.53 | J/mol×K | 904.20 | Joback Calculated Property |
| Cp,gas | 390.38 | J/mol×K | 947.49 | Joback Calculated Property |
| ΔsubH | 104.90 | kJ/mol | 426.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Methylaminophthalimide.
Sources
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