- InChI
- InChI=1S/C8H6Cl2O2/c1-5(11)12-6-2-3-7(9)8(10)4-6/h2-4H,1H3
- InChI Key
- OSKGYRIYNMZFSJ-UHFFFAOYSA-N
- Formula
- C8H6Cl2O2
- SMILES
- CC(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 205.04
- CAS
- 17847-51-7
- Other Names
-
- Acetic acid, 3,4-dichlorophenyl ester
- 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.
- I : 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° | -148.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 131.740 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Inp | [1377.00; 1410.00] |
|
|
| Inp | 1377.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1377.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1377.00 | NIST | |
| I | 2072.00 | NIST | |
| Tboil | 570.23 | K | Joback Calculated Property |
| Tc | 801.88 | K | Joback Calculated Property |
| Tfus | 363.38 | K | Joback Calculated Property |
| Vc | 0.497 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.56; 306.45] | J/mol×K | [570.23; 801.88] |
|
| Cp,gas | 258.56 | J/mol×K | 570.23 | Joback Calculated Property |
| Cp,gas | 267.98 | J/mol×K | 608.84 | Joback Calculated Property |
| Cp,gas | 276.81 | J/mol×K | 647.45 | Joback Calculated Property |
| Cp,gas | 285.07 | J/mol×K | 686.06 | Joback Calculated Property |
| Cp,gas | 292.76 | J/mol×K | 724.66 | Joback Calculated Property |
| Cp,gas | 299.89 | J/mol×K | 763.27 | Joback Calculated Property |
| Cp,gas | 306.45 | J/mol×K | 801.88 | Joback Calculated Property |
| η | [0.0002386; 0.0013093] | Pa×s | [363.38; 570.23] |
|
| η | 0.0013093 | Pa×s | 363.38 | Joback Calculated Property |
| η | 0.0008718 | Pa×s | 397.86 | Joback Calculated Property |
| η | 0.0006194 | Pa×s | 432.33 | Joback Calculated Property |
| η | 0.0004628 | Pa×s | 466.81 | Joback Calculated Property |
| η | 0.0003600 | Pa×s | 501.28 | Joback Calculated Property |
| η | 0.0002892 | Pa×s | 535.75 | Joback Calculated Property |
| η | 0.0002386 | Pa×s | 570.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,4-dichloro-, acetate.
Sources
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