- InChI
- InChI=1S/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
- InChI Key
- FTGLKPMFTLNUBN-UHFFFAOYSA-N
- Formula
- C7H6ClI
- SMILES
- Cc1cccc(Cl)c1I
- Molecular Weight1
- 252.48
- CAS
- 5100-98-1
- Other Names
-
- 3-Chloro-2-iodotoluene
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3124 | Relay (... Calculated Property | |
| ΔfG° | 147.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 116.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -4.23 | Relay (... Calculated Property | |
| logPoct/wat | 3.253 | Crippen Calculated Property | |
| McVol | 123.790 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 519.76 | K | Relay (... Calculated Property |
| Tc | 768.19 | K | Relay (... Calculated Property |
| Tfus | 287.58 | K | Relay (... Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.36; 249.10] | J/mol×K | [526.77; 786.63] | 
|
| Cp,gas | 203.36 | J/mol×K | 526.77 | Joback Calculated Property |
| Cp,gas | 212.62 | J/mol×K | 570.08 | Joback Calculated Property |
| Cp,gas | 221.15 | J/mol×K | 613.39 | Joback Calculated Property |
| Cp,gas | 229.02 | J/mol×K | 656.70 | Joback Calculated Property |
| Cp,gas | 236.27 | J/mol×K | 700.01 | Joback Calculated Property |
| Cp,gas | 242.95 | J/mol×K | 743.32 | Joback Calculated Property |
| Cp,gas | 249.10 | J/mol×K | 786.63 | Joback Calculated Property |
| η | [0.0003071; 0.0021012] | Pa×s | [308.09; 526.77] |
|
| η | 0.0021012 | Pa×s | 308.09 | Joback Calculated Property |
| η | 0.0012872 | Pa×s | 344.54 | Joback Calculated Property |
| η | 0.0008661 | Pa×s | 380.98 | Joback Calculated Property |
| η | 0.0006244 | Pa×s | 417.43 | Joback Calculated Property |
| η | 0.0004745 | Pa×s | 453.88 | Joback Calculated Property |
| η | 0.0003756 | Pa×s | 490.32 | Joback Calculated Property |
| η | 0.0003071 | Pa×s | 526.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Toluene, 3-chloro-2-iodo-.
Sources
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