- InChI
- InChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
- InChI Key
- FUADXEJBHCKVBN-UHFFFAOYSA-N
- Formula
- C13H11NO
- SMILES
- Nc1cccc(C(=O)c2ccccc2)c1
- Molecular Weight1
- 197.23
- CAS
- 2835-78-1
- Other Names
-
- Methanone, (3-aminophenyl)phenyl-
- Benzophenone, 3-amino-
- m-Aminobenzophenone
- 3-Benzoylaniline
- 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 | 0.6077 | Relay (... Calculated Property | |
| ΔfG° | 211.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.29 | kJ/mol | Relay (... Calculated Property |
| IE | [8.50; 8.50] | eV |
|
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 8.50 ± 0.10 | eV | NIST |
| log10WS | -3.01 | Relay (... Calculated Property | |
| logPoct/wat | 2.500 | Crippen Calculated Property | |
| McVol | 158.060 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | 635.81 | K | Relay (... Calculated Property |
| Tc | 909.76 | K | Relay (... Calculated Property |
| Tfus | 365.75 | K | Relay (... Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.28; 464.50] | J/mol×K | [681.58; 940.51] |
|
| Cp,gas | 398.28 | J/mol×K | 681.58 | Joback Calculated Property |
| Cp,gas | 412.12 | J/mol×K | 724.73 | Joback Calculated Property |
| Cp,gas | 424.72 | J/mol×K | 767.89 | Joback Calculated Property |
| Cp,gas | 436.18 | J/mol×K | 811.04 | Joback Calculated Property |
| Cp,gas | 446.58 | J/mol×K | 854.20 | Joback Calculated Property |
| Cp,gas | 455.99 | J/mol×K | 897.35 | Joback Calculated Property |
| Cp,gas | 464.50 | J/mol×K | 940.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminobenzophenone.
Sources
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