- InChI
- InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
- InChI Key
- QZXCCPZJCKEPSA-UHFFFAOYSA-N
- Formula
- C8H5Cl3O2
- SMILES
- O=C(O)Cc1c(Cl)ccc(Cl)c1Cl
- Molecular Weight1
- 239.48
- CAS
- 85-34-7
- Other Names
-
- (2,3,6-Trichlorophenyl)acetic acid
- 2,3,6-Trichlorobenzeneacetic acid
- 2,3,6-Trichlorphenylessigsaeure
- 2-(2,3,6-trichlorophenyl)acetic acid
- Acetic acid, (2,3,6-trichlorophenyl)-
- Benzeneacetic acid, 2,3,6-trichloro-
- Fenac
- Fenae
- Fenatrol
- Kanepar
- Kyselina 2,3,6-trichlorfenyloctova
- NSC 41931
- TCPA
- Tri-Fen
- Tri-fene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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° | -201.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Aq. Sol... | |
| logPoct/wat | 3.274 | Crippen Calculated Property | |
| McVol | 143.980 | ml/mol | McGowan Calculated Property |
| Pc | 3646.53 | kPa | Joback Calculated Property |
| Tboil | 682.40 | K | Joback Calculated Property |
| Tc | 902.53 | K | Joback Calculated Property |
| Tfus | [431.65; 433.50] | K |
|
| Tfus | 431.65 | K | Aq. Sol... |
| Tfus | 433.50 ± 0.20 | K | NIST |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.00; 326.71] | J/mol×K | [682.40; 902.53] |
|
| Cp,gas | 293.00 | J/mol×K | 682.40 | Joback Calculated Property |
| Cp,gas | 299.76 | J/mol×K | 719.09 | Joback Calculated Property |
| Cp,gas | 306.04 | J/mol×K | 755.78 | Joback Calculated Property |
| Cp,gas | 311.86 | J/mol×K | 792.47 | Joback Calculated Property |
| Cp,gas | 317.23 | J/mol×K | 829.16 | Joback Calculated Property |
| Cp,gas | 322.17 | J/mol×K | 865.85 | Joback Calculated Property |
| Cp,gas | 326.71 | J/mol×K | 902.53 | Joback Calculated Property |
| η | [0.0000740; 0.0010863] | Pa×s | [444.41; 682.40] |
|
| η | 0.0010863 | Pa×s | 444.41 | Joback Calculated Property |
| η | 0.0005779 | Pa×s | 484.07 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 523.74 | Joback Calculated Property |
| η | 0.0002135 | Pa×s | 563.40 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 603.07 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 642.73 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 682.40 | Joback Calculated Property |
| ΔfusH | [22.43; 22.43] | kJ/mol | [432.30; 432.30] |
|
| ΔfusH | 22.43 | kJ/mol | 432.30 | NIST |
| ΔfusH | 22.43 | kJ/mol | 432.30 | NIST |
Similar Compounds
Find more compounds similar to Chlorfenac.
Sources
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