![BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-](/cid/106-556-7/BENZENEACETIC-ACID-2-2-6-DICHLOROPHENYL-AMINO.png "BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-")
- InChI
- InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
- InChI Key
- DCOPUUMXTXDBNB-UHFFFAOYSA-N
- Formula
- C14H11Cl2NO2
- SMILES
- O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
- Molecular Weight1
- 296.15
- Other Names
-
- (2-((2,6-dichlorophenyl)amino)phenyl)acetic acid
- 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid
- 2-[(2,6-Dichlorophenyl)amino]benzoic acid (diclofenac acid)
- Acetic acid, (o-(2,6-dichloroanilino)phenyl)-
- Dichlofenac
- diclofenac
- diclofenac acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 38.11 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 115.60 ± 1.30 | kJ/mol | NIST |
| IE | 7.45 | eV | Relay (1.0) Calculated Property |
| log10WS | [-5.46; -5.10] |
|
|
| log10WS | -5.46 | Aq. Solubility Prediction | |
| log10WS | -5.10 | Rytting (2005) | |
| logPoct/wat | 4.364 | Crippen Calculated Property | |
| McVol | 202.500 | ml/mol | McGowan Calculated Property |
| Tfus | 436.53 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.01; 570.92] | J/mol×K | [859.10; 1091.35] |
|
| Cp,gas | 527.01 | J/mol×K | 859.10 | Joback Calculated Property |
| Cp,gas | 536.14 | J/mol×K | 897.81 | Joback Calculated Property |
| Cp,gas | 544.47 | J/mol×K | 936.52 | Joback Calculated Property |
| Cp,gas | 552.06 | J/mol×K | 975.23 | Joback Calculated Property |
| Cp,gas | 558.96 | J/mol×K | 1013.94 | Joback Calculated Property |
| Cp,gas | 565.23 | J/mol×K | 1052.64 | Joback Calculated Property |
| Cp,gas | 570.92 | J/mol×K | 1091.35 | Joback Calculated Property |
| ΔfusH | [39.40; 40.40] | kJ/mol | [452.60; 454.20] |
|
| ΔfusH | 40.40 | kJ/mol | 452.60 | NIST |
| ΔfusH | 39.40 | kJ/mol | 454.20 | NIST |
| ΔsubH | 114.70 ± 1.30 | kJ/mol | 339.00 | NIST |
Similar Compounds
Find more compounds similar to BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-.
Mixtures
- n-Hexane + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Carbon Tetrachloride + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Acetonitrile + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Benzene, chloro- + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Ethanol + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Trichloromethane + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Acetone + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
- Carbon dioxide + BENZENEACETIC ACID, 2-[(2,6-DICHLOROPHENYL)AMINO]-
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Solubilities of Organic Semiconductors and Nonsteroidal Anti-inflammatory Drugs in Pure and Mixed Organic Solvents: Measurement and Modeling with Hansen Solubility Parameter
- Solubility Measurement of Diclofenac Acid in the Supercritical CO2
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.