- InChI
- InChI=1S/C7H3Cl3O2/c8-4-1-5(12)3(2-11)6(9)7(4)10/h1-2,12H
- InChI Key
- DSYXJIUEIAOOAD-UHFFFAOYSA-N
- Formula
- C7H3Cl3O2
- SMILES
- O=Cc1c(O)cc(Cl)c(Cl)c1Cl
- Molecular Weight1
- 225.46
- 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).
- 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° | -198.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 129.890 | ml/mol | McGowan Calculated Property |
| Pc | 4492.23 | kPa | Joback Calculated Property |
| Inp | [1481.00; 1530.00] |
|
|
| Inp | 1510.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Inp | Outlier 1481.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 642.75 | K | Joback Calculated Property |
| Tc | 891.37 | K | Joback Calculated Property |
| Tfus | 476.11 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.64; 279.36] | J/mol×K | [642.75; 891.37] |
|
| Cp,gas | 249.64 | J/mol×K | 642.75 | Joback Calculated Property |
| Cp,gas | 255.42 | J/mol×K | 684.19 | Joback Calculated Property |
| Cp,gas | 260.77 | J/mol×K | 725.62 | Joback Calculated Property |
| Cp,gas | 265.76 | J/mol×K | 767.06 | Joback Calculated Property |
| Cp,gas | 270.47 | J/mol×K | 808.50 | Joback Calculated Property |
| Cp,gas | 274.98 | J/mol×K | 849.94 | Joback Calculated Property |
| Cp,gas | 279.36 | J/mol×K | 891.37 | Joback Calculated Property |
| η | [0.0000425; 0.0003900] | Pa×s | [476.11; 642.75] |
|
| η | 0.0003900 | Pa×s | 476.11 | Joback Calculated Property |
| η | 0.0002435 | Pa×s | 503.88 | Joback Calculated Property |
| η | 0.0001597 | Pa×s | 531.66 | Joback Calculated Property |
| η | 0.0001092 | Pa×s | 559.43 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 587.20 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 614.98 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 642.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4,5,6-trichloro-2-hydroxy.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.