- InChI
- InChI=1S/C9H7Cl3O2/c1-6-3-2-4-7(5-6)14-8(13)9(10,11)12/h2-5H,1H3
- InChI Key
- WEXLTVMJHWNNTN-UHFFFAOYSA-N
- Formula
- C9H7Cl3O2
- SMILES
- Cc1cccc(OC(=O)C(Cl)(Cl)Cl)c1
- Molecular Weight1
- 253.51
- 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° | -139.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.271 | Crippen Calculated Property | |
| McVol | 158.070 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [1483.00; 1483.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Tboil | 622.33 | K | Joback Calculated Property |
| Tc | 866.50 | K | Joback Calculated Property |
| Tfus | 394.47 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.91; 379.27] | J/mol×K | [622.33; 866.50] |
|
| Cp,gas | 329.91 | J/mol×K | 622.33 | Joback Calculated Property |
| Cp,gas | 340.21 | J/mol×K | 663.03 | Joback Calculated Property |
| Cp,gas | 349.60 | J/mol×K | 703.72 | Joback Calculated Property |
| Cp,gas | 358.16 | J/mol×K | 744.42 | Joback Calculated Property |
| Cp,gas | 365.92 | J/mol×K | 785.11 | Joback Calculated Property |
| Cp,gas | 372.94 | J/mol×K | 825.81 | Joback Calculated Property |
| Cp,gas | 379.27 | J/mol×K | 866.50 | Joback Calculated Property |
| η | [0.0001833; 0.0014971] | Pa×s | [394.47; 622.33] |
|
| η | 0.0014971 | Pa×s | 394.47 | Joback Calculated Property |
| η | 0.0009046 | Pa×s | 432.45 | Joback Calculated Property |
| η | 0.0005929 | Pa×s | 470.42 | Joback Calculated Property |
| η | 0.0004140 | Pa×s | 508.40 | Joback Calculated Property |
| η | 0.0003038 | Pa×s | 546.38 | Joback Calculated Property |
| η | 0.0002321 | Pa×s | 584.35 | Joback Calculated Property |
| η | 0.0001833 | Pa×s | 622.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 3-methylphenyl ester.
Sources
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