- InChI
- InChI=1S/C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,14-15H2
- InChI Key
- TUQQUUXMCKXGDI-UHFFFAOYSA-N
- Formula
- C13H12N2O
- SMILES
- Nc1cccc(C(=O)c2cccc(N)c2)c1
- Molecular Weight1
- 212.25
- CAS
- 611-79-0
- Other Names
-
- Methanone, bis(3-aminophenyl)-
- 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).
- 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 | 0.7161 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 37.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Tboil | 661.31 | K | Relay (1.0) Calculated Property |
| Tc | 962.01 | K | Relay (1.0) Calculated Property |
| Tfus | 422.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.40; 511.62] | J/mol×K | [759.09; 1022.73] | 
|
| Cp,gas | 452.40 | J/mol×K | 759.09 | Joback Calculated Property |
| Cp,gas | 464.90 | J/mol×K | 803.03 | Joback Calculated Property |
| Cp,gas | 476.24 | J/mol×K | 846.97 | Joback Calculated Property |
| Cp,gas | 486.50 | J/mol×K | 890.91 | Joback Calculated Property |
| Cp,gas | 495.77 | J/mol×K | 934.85 | Joback Calculated Property |
| Cp,gas | 504.11 | J/mol×K | 978.79 | Joback Calculated Property |
| Cp,gas | 511.62 | J/mol×K | 1022.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3'-Diaminobenzophenone.
Sources
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