- InChI
- InChI=1S/C13H12N2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2
- InChI Key
- WJWKTVHKQDEXEQ-UHFFFAOYSA-N
- Formula
- C13H12N2O
- SMILES
- Nc1ccc(N)c(C(=O)c2ccccc2)c1
- Molecular Weight1
- 212.25
- CAS
- 18330-94-4
- Other Names
-
- (2,5-Diaminophenyl)(phenyl)methanone
- Benzophenone, 2,5-diamino
- Methanone, (2,5-diaminophenyl)phenyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 268.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Inp | 2198.00 | NIST | |
| Tboil | 759.09 | K | Joback Calculated Property |
| Tc | 1022.73 | K | Joback Calculated Property |
| Tfus | 530.60 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback 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 2,5-Diaminobenzophenone.
Sources
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