- InChI
- InChI=1S/C19H22ClFN2O/c1-3-23(4-2)12-11-22-18-10-9-14(20)13-16(18)19(24)15-7-5-6-8-17(15)21/h5-10,13,22H,3-4,11-12H2,1-2H3
- InChI Key
- VOXNSVGFHTWQLC-UHFFFAOYSA-N
- Formula
- C19H22ClFN2O
- SMILES
-
CCN(CC)CCNc1ccc(Cl)cc1C(=O)c1c
cccc1F - Molecular Weight1
- 348.84
- CAS
- 36105-18-7
- Other Names
-
- 2-[2-(Diethylamino-ethylamino]-5-chloro-2'-fluorobenzophenone
- 2-Diethylamino-ethylamino-5-chloro-2'-fluoro-benzophenone
- Benzophenone, 5-chloro-2-diethylaminoethylamino-2'-fluoro
- 2-diethylamino-ethylamino-5-chlor-2'-fluor-benzophenone
- 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° | 169.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.464 | Crippen Calculated Property | |
| McVol | 266.590 | ml/mol | McGowan Calculated Property |
| Pc | 1689.34 | kPa | Joback Calculated Property |
| Inp | [2555.00; 2560.00] |
|
|
| Inp | 2555.00 | NIST | |
| Inp | 2560.00 | NIST | |
| Inp | 2555.00 | NIST | |
| Inp | 2555.00 | NIST | |
| Inp | 2558.00 | NIST | |
| Inp | 2555.00 | NIST | |
| Tboil | 855.60 | K | Joback Calculated Property |
| Tc | 1074.70 | K | Joback Calculated Property |
| Tfus | 559.86 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [782.52; 853.15] | J/mol×K | [855.60; 1074.70] |
|
| Cp,gas | 782.52 | J/mol×K | 855.60 | Joback Calculated Property |
| Cp,gas | 796.69 | J/mol×K | 892.12 | Joback Calculated Property |
| Cp,gas | 809.81 | J/mol×K | 928.63 | Joback Calculated Property |
| Cp,gas | 821.94 | J/mol×K | 965.15 | Joback Calculated Property |
| Cp,gas | 833.16 | J/mol×K | 1001.67 | Joback Calculated Property |
| Cp,gas | 843.54 | J/mol×K | 1038.18 | Joback Calculated Property |
| Cp,gas | 853.15 | J/mol×K | 1074.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-2'-fluoro-2-diethyaminoethylaminobenzophenone.
Sources
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