- InChI
- InChI=1S/C8H5Cl3O2/c9-4-8(12)13-5-1-2-6(10)7(11)3-5/h1-3H,4H2
- InChI Key
- CNALHVZXVPTLGY-UHFFFAOYSA-N
- Formula
- C8H5Cl3O2
- SMILES
- O=C(CCl)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 239.48
- 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° | -160.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 3.138 | Crippen Calculated Property | |
| McVol | 143.980 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Tboil | 607.66 | K | Joback Calculated Property |
| Tc | 843.00 | K | Joback Calculated Property |
| Tfus | 393.30 | K | Joback Calculated Property |
| Vc | 0.546 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.20; 322.34] | J/mol×K | [607.66; 843.00] |
|
| Cp,gas | 279.20 | J/mol×K | 607.66 | Joback Calculated Property |
| Cp,gas | 287.86 | J/mol×K | 646.88 | Joback Calculated Property |
| Cp,gas | 295.93 | J/mol×K | 686.11 | Joback Calculated Property |
| Cp,gas | 303.40 | J/mol×K | 725.33 | Joback Calculated Property |
| Cp,gas | 310.29 | J/mol×K | 764.55 | Joback Calculated Property |
| Cp,gas | 316.60 | J/mol×K | 803.78 | Joback Calculated Property |
| Cp,gas | 322.34 | J/mol×K | 843.00 | Joback Calculated Property |
| η | [0.0002290; 0.0012328] | Pa×s | [393.30; 607.66] |
|
| η | 0.0012328 | Pa×s | 393.30 | Joback Calculated Property |
| η | 0.0008286 | Pa×s | 429.03 | Joback Calculated Property |
| η | 0.0005919 | Pa×s | 464.75 | Joback Calculated Property |
| η | 0.0004437 | Pa×s | 500.48 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 536.21 | Joback Calculated Property |
| η | 0.0002777 | Pa×s | 571.93 | Joback Calculated Property |
| η | 0.0002290 | Pa×s | 607.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 3,4-dichlorophenyl ester.
Sources
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