- InChI
- InChI=1S/C8H4Cl5NO/c9-3-1-5(11)6(2-4(3)10)14-8(15)7(12)13/h1-2,7H,(H,14,15)
- InChI Key
- XAZSAUSDMZJMSS-UHFFFAOYSA-N
- Formula
- C8H4Cl5NO
- SMILES
-
O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(Cl)C
l - Molecular Weight1
- 307.39
- CAS
- 33560-51-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -1.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 4.389 | Crippen Calculated Property | |
| McVol | 172.570 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | 714.81 | K | Joback Calculated Property |
| Tc | 962.64 | K | Joback Calculated Property |
| Tfus | 481.09 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.57; 368.89] | J/mol×K | [714.81; 962.64] | 
|
| Cp,gas | 335.57 | J/mol×K | 714.81 | Joback Calculated Property |
| Cp,gas | 342.66 | J/mol×K | 756.12 | Joback Calculated Property |
| Cp,gas | 349.09 | J/mol×K | 797.42 | Joback Calculated Property |
| Cp,gas | 354.89 | J/mol×K | 838.73 | Joback Calculated Property |
| Cp,gas | 360.11 | J/mol×K | 880.03 | Joback Calculated Property |
| Cp,gas | 364.76 | J/mol×K | 921.34 | Joback Calculated Property |
| Cp,gas | 368.89 | J/mol×K | 962.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2',4',5'-Pentachloroacetanilide.
Sources
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