- 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
- Other Names
-
- Toluene, 3-chloro-2-iodo-
- 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 (1.0) Calculated Property | |
| ΔfG° | 147.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 116.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) 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 (1.0) Calculated Property |
| Tc | 770.36 | K | Relay (1.0) Calculated Property |
| Tfus | 300.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.31; 273.30] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.58000e+01 | |||
| Coefficient B | 5.16720e-01 | |||
| Coefficient C | -3.55920e-04 | |||
| Coefficient D | 9.67000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 158.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 181.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 200.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 217.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 232.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 245.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 255.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 265.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 273.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023751; 0.0002728] | Pa×s | [300.15; 550.85] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.07977e+01 | |||
| Coefficient B | 1.42720e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 300.15 | |||
| Temperature range, max. | 550.85 | |||
| η | 0.0023751 | Pa×s | 300.15 | Calculated Property |
| η | 0.0015860 | Pa×s | 328.01 | Calculated Property |
| η | 0.0011282 | Pa×s | 355.86 | Calculated Property |
| η | 0.0008433 | Pa×s | 383.72 | Calculated Property |
| η | 0.0006556 | Pa×s | 411.57 | Calculated Property |
| η | 0.0005262 | Pa×s | 439.43 | Calculated Property |
| η | 0.0004336 | Pa×s | 467.28 | Calculated Property |
| η | 0.0003651 | Pa×s | 495.14 | Calculated Property |
| η | 0.0003132 | Pa×s | 522.99 | Calculated Property |
| η | 0.0002728 | Pa×s | 550.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-iodotoluene.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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