- InChI
- InChI=1S/C7H3Cl3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
- InChI Key
- AURSMWWOMOVHBM-UHFFFAOYSA-N
- Formula
- C7H3Cl3O
- SMILES
- O=Cc1c(Cl)ccc(Cl)c1Cl
- Molecular Weight1
- 209.46
- CAS
- 4659-47-6
- Other Names
-
- Benzaldehyde, 2,3,6-trichloro-
- 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).
- 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° | -43.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.459 | Crippen Calculated Property | |
| McVol | 124.020 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Tboil | 562.13 | K | Joback Calculated Property |
| Tc | 801.27 | K | Joback Calculated Property |
| Tfus | 364.39 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.23; 250.83] | J/mol×K | [562.13; 801.27] | 
|
| Cp,gas | 216.23 | J/mol×K | 562.13 | Joback Calculated Property |
| Cp,gas | 223.17 | J/mol×K | 601.99 | Joback Calculated Property |
| Cp,gas | 229.61 | J/mol×K | 641.84 | Joback Calculated Property |
| Cp,gas | 235.58 | J/mol×K | 681.70 | Joback Calculated Property |
| Cp,gas | 241.09 | J/mol×K | 721.56 | Joback Calculated Property |
| Cp,gas | 246.17 | J/mol×K | 761.42 | Joback Calculated Property |
| Cp,gas | 250.83 | J/mol×K | 801.27 | Joback Calculated Property |
| η | [0.0003352; 0.0015051] | Pa×s | [364.39; 562.13] |
|
| η | 0.0015051 | Pa×s | 364.39 | Joback Calculated Property |
| η | 0.0010563 | Pa×s | 397.35 | Joback Calculated Property |
| η | 0.0007826 | Pa×s | 430.30 | Joback Calculated Property |
| η | 0.0006051 | Pa×s | 463.26 | Joback Calculated Property |
| η | 0.0004841 | Pa×s | 496.22 | Joback Calculated Property |
| η | 0.0003982 | Pa×s | 529.17 | Joback Calculated Property |
| η | 0.0003352 | Pa×s | 562.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trichlorobenzaldehyde.
Sources
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