- 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
-
- 3-Benzoylaniline
- Benzophenone, 3-amino-
- Methanone, (3-aminophenyl)phenyl-
- m-Aminobenzophenone
- 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 (1.0) Calculated Property | |
| ΔfG° | 211.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.18 | kJ/mol | Relay (1.0) 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 (1.0) 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 (1.0) Calculated Property |
| Tc | 908.63 | K | Relay (1.0) Calculated Property |
| Tfus | 366.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.567 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.60; 474.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.85900e+01 | |||
| Coefficient B | 1.05540e+00 | |||
| Coefficient C | -7.03460e-04 | |||
| Coefficient D | 1.71560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 244.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 291.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 331.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 366.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 396.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 421.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 442.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 460.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 474.91 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminobenzophenone.
Sources
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