- InChI
- InChI=1S/C8H3Cl5O2/c1-2(14)15-8-6(12)4(10)3(9)5(11)7(8)13/h1H3
- InChI Key
- RRYATXLRCBOQTJ-UHFFFAOYSA-N
- Formula
- C8H3Cl5O2
- SMILES
-
CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c
1Cl - Molecular Weight1
- 308.37
- CAS
- 1441-02-7
- Other Names
-
- Phenol, pentachloro-, acetate
- Rabcon
- CPA
- Pentachlorophenol, O-acetyl-
- 2,3,4,5,6-Pentachlorophenyl acetate
- 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° | -212.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.879 | Crippen Calculated Property | |
| McVol | 168.460 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [1800.00; 1844.00] |
|
|
| Inp | 1800.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1844.00 | NIST | |
| I | 2401.00 | NIST | |
| Tboil | 697.46 | K | Joback Calculated Property |
| Tc | 941.22 | K | Joback Calculated Property |
| Tfus | 490.70 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.58; 342.51] | J/mol×K | [697.46; 941.22] |
|
| Cp,gas | 310.58 | J/mol×K | 697.46 | Joback Calculated Property |
| Cp,gas | 317.23 | J/mol×K | 738.09 | Joback Calculated Property |
| Cp,gas | 323.36 | J/mol×K | 778.71 | Joback Calculated Property |
| Cp,gas | 328.97 | J/mol×K | 819.34 | Joback Calculated Property |
| Cp,gas | 334.04 | J/mol×K | 859.97 | Joback Calculated Property |
| Cp,gas | 338.55 | J/mol×K | 900.59 | Joback Calculated Property |
| Cp,gas | 342.51 | J/mol×K | 941.22 | Joback Calculated Property |
| η | [0.0001913; 0.0006662] | Pa×s | [490.70; 697.46] |
|
| η | 0.0006662 | Pa×s | 490.70 | Joback Calculated Property |
| η | 0.0005054 | Pa×s | 525.16 | Joback Calculated Property |
| η | 0.0003967 | Pa×s | 559.62 | Joback Calculated Property |
| η | 0.0003202 | Pa×s | 594.08 | Joback Calculated Property |
| η | 0.0002646 | Pa×s | 628.54 | Joback Calculated Property |
| η | 0.0002231 | Pa×s | 663.00 | Joback Calculated Property |
| η | 0.0001913 | Pa×s | 697.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentachlorophenyl acetate.
Sources
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