- InChI
- InChI=1S/C14H12ClNO/c15-12-7-6-11(9-16)13(8-12)14(17)10-4-2-1-3-5-10/h1-8H,9,16H2
- InChI Key
- YHSCBLSYYDIOFJ-UHFFFAOYSA-N
- Formula
- C14H12ClNO
- SMILES
- NCc1ccc(Cl)cc1C(=O)c1ccccc1
- Molecular Weight1
- 245.70
- CAS
- 74966-83-9
- Other Names
-
- Methanone, [2-(aminomethyl)-5-chlorophenyl]phenyl-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6216 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -0.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.030 | Crippen Calculated Property | |
| McVol | 184.390 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | [2107.00; 2115.00] |
|
|
| Inp | 2107.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Inp | 2107.00 | NIST | |
| Tboil | 643.64 | K | Relay (1.0) Calculated Property |
| Tc | 902.70 | K | Relay (1.0) Calculated Property |
| Tfus | 369.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.61; 532.18] | J/mol×K | [746.87; 1002.53] |
|
| Cp,gas | 470.61 | J/mol×K | 746.87 | Joback Calculated Property |
| Cp,gas | 483.47 | J/mol×K | 789.48 | Joback Calculated Property |
| Cp,gas | 495.18 | J/mol×K | 832.09 | Joback Calculated Property |
| Cp,gas | 505.83 | J/mol×K | 874.70 | Joback Calculated Property |
| Cp,gas | 515.50 | J/mol×K | 917.31 | Joback Calculated Property |
| Cp,gas | 524.25 | J/mol×K | 959.92 | Joback Calculated Property |
| Cp,gas | 532.18 | J/mol×K | 1002.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzophenone, 2-methylamino-5-chloro-.
Sources
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