- InChI
- InChI=1S/C8H4Cl5NO/c9-4-2-1-3-5(6(4)10)14-7(15)8(11,12)13/h1-3H,(H,14,15)
- InChI Key
- RSVQDLQEPJXEAV-UHFFFAOYSA-N
- Formula
- C8H4Cl5NO
- SMILES
-
O=C(Nc1cccc(Cl)c1Cl)C(Cl)(Cl)C
l - Molecular Weight1
- 307.39
- CAS
- 33560-53-1
- 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° | 13.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.61 | Crippen Calculated Property | |
| logPoct/wat | 4.302 | Crippen Calculated Property | |
| McVol | 172.570 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| Tboil | 707.04 | K | Joback Calculated Property |
| Tc | 963.68 | K | Joback Calculated Property |
| Tfus | 485.99 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.50; 373.03] | J/mol×K | [707.04; 963.68] | 
|
| Cp,gas | 340.50 | J/mol×K | 707.04 | Joback Calculated Property |
| Cp,gas | 347.58 | J/mol×K | 749.81 | Joback Calculated Property |
| Cp,gas | 353.89 | J/mol×K | 792.59 | Joback Calculated Property |
| Cp,gas | 359.50 | J/mol×K | 835.36 | Joback Calculated Property |
| Cp,gas | 364.51 | J/mol×K | 878.13 | Joback Calculated Property |
| Cp,gas | 368.99 | J/mol×K | 920.90 | Joback Calculated Property |
| Cp,gas | 373.03 | J/mol×K | 963.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Alpha,alpha,alpha,2,3-pentachloroacetanilide.
Sources
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