- InChI
- InChI=1S/C10H9Cl3/c1-8(7-10(11,12)13)9-5-3-2-4-6-9/h2-6H,1,7H2
- InChI Key
- JNHUFDXYWPRKLK-UHFFFAOYSA-N
- Formula
- C10H9Cl3
- SMILES
- C=C(CC(Cl)(Cl)Cl)c1ccccc1
- Molecular Weight1
- 235.54
- 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).
- 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° | 192.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.69 | Crippen Calculated Property | |
| logPoct/wat | 4.460 | Crippen Calculated Property | |
| McVol | 160.420 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | [1495.00; 1495.00] |
|
|
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Tboil | 560.50 | K | Joback Calculated Property |
| Tc | 804.94 | K | Joback Calculated Property |
| Tfus | 305.34 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.40; 383.71] | J/mol×K | [560.50; 804.94] |
|
| Cp,gas | 322.40 | J/mol×K | 560.50 | Joback Calculated Property |
| Cp,gas | 335.23 | J/mol×K | 601.24 | Joback Calculated Property |
| Cp,gas | 346.88 | J/mol×K | 641.98 | Joback Calculated Property |
| Cp,gas | 357.45 | J/mol×K | 682.72 | Joback Calculated Property |
| Cp,gas | 367.05 | J/mol×K | 723.46 | Joback Calculated Property |
| Cp,gas | 375.77 | J/mol×K | 764.20 | Joback Calculated Property |
| Cp,gas | 383.71 | J/mol×K | 804.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (3,3,3-trichloro-1-methylenepropyl).
Sources
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