- InChI
- InChI=1S/C9H9Cl3/c1-6-2-7(4-10)3-8(5-11)9(6)12/h2-3H,4-5H2,1H3
- InChI Key
- XMAVRXJRPJQEAB-UHFFFAOYSA-N
- Formula
- C9H9Cl3
- SMILES
- Cc1cc(CCl)cc(CCl)c1Cl
- Molecular Weight1
- 223.53
- 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° | 72.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 4.126 | Crippen Calculated Property | |
| McVol | 150.630 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | 1566.00 | NIST | |
| Tboil | 559.23 | K | Joback Calculated Property |
| Tc | 786.70 | K | Joback Calculated Property |
| Tfus | 344.93 | K | Joback Calculated Property |
| Vc | 0.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.33; 346.45] | J/mol×K | [559.23; 786.70] | 
|
| Cp,gas | 291.33 | J/mol×K | 559.23 | Joback Calculated Property |
| Cp,gas | 302.05 | J/mol×K | 597.14 | Joback Calculated Property |
| Cp,gas | 312.13 | J/mol×K | 635.05 | Joback Calculated Property |
| Cp,gas | 321.58 | J/mol×K | 672.96 | Joback Calculated Property |
| Cp,gas | 330.44 | J/mol×K | 710.88 | Joback Calculated Property |
| Cp,gas | 338.72 | J/mol×K | 748.79 | Joback Calculated Property |
| Cp,gas | 346.45 | J/mol×K | 786.70 | Joback Calculated Property |
| η | [0.0002404; 0.0013475] | Pa×s | [344.93; 559.23] |
|
| η | 0.0013475 | Pa×s | 344.93 | Joback Calculated Property |
| η | 0.0008836 | Pa×s | 380.65 | Joback Calculated Property |
| η | 0.0006229 | Pa×s | 416.36 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 452.08 | Joback Calculated Property |
| η | 0.0003609 | Pa×s | 487.80 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 523.51 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 559.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-chloro-1,3-bis-(chloromethyl)-5-methyl.
Sources
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