- InChI
- InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
- InChI Key
- GTPNXFKONRIHRW-UHFFFAOYSA-N
- Formula
- C9H11I
- SMILES
- Cc1cc(C)c(I)c(C)c1
- Molecular Weight1
- 246.09
- CAS
- 4028-63-1
- Other Names
-
- 2-Iodomesitylene
- Benzene, 2-iodo-1,3,5-trimethyl-
- Iodo-2,4,6-trimethylbenzene
- 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).
- Pvap : Vapor 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° | 166.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 49.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.216 | Crippen Calculated Property | |
| McVol | 139.730 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Tboil | 540.08 | K | Joback Calculated Property |
| Tc | 785.74 | K | Joback Calculated Property |
| Tfus | 313.23 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.88; 327.71] | J/mol×K | [540.08; 785.74] | 
|
| Cp,gas | 264.88 | J/mol×K | 540.08 | Joback Calculated Property |
| Cp,gas | 277.13 | J/mol×K | 581.02 | Joback Calculated Property |
| Cp,gas | 288.62 | J/mol×K | 621.97 | Joback Calculated Property |
| Cp,gas | 299.39 | J/mol×K | 662.91 | Joback Calculated Property |
| Cp,gas | 309.47 | J/mol×K | 703.85 | Joback Calculated Property |
| Cp,gas | 318.90 | J/mol×K | 744.80 | Joback Calculated Property |
| Cp,gas | 327.71 | J/mol×K | 785.74 | Joback Calculated Property |
| η | [0.0002602; 0.0016845] | Pa×s | [313.23; 540.08] |
|
| η | 0.0016845 | Pa×s | 313.23 | Joback Calculated Property |
| η | 0.0010434 | Pa×s | 351.04 | Joback Calculated Property |
| η | 0.0007094 | Pa×s | 388.85 | Joback Calculated Property |
| η | 0.0005165 | Pa×s | 426.65 | Joback Calculated Property |
| η | 0.0003959 | Pa×s | 464.46 | Joback Calculated Property |
| η | 0.0003159 | Pa×s | 502.27 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 540.08 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [383.00; 558.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38029e+01 | |||
| Coefficient B | -4.01797e+03 | |||
| Coefficient C | -8.57100e+01 | |||
| Temperature range, min. | 383.00 | |||
| Temperature range, max. | 558.89 | |||
| Pvap | 1.33 | kPa | 383.00 | Calculated Property |
| Pvap | 3.07 | kPa | 402.54 | Calculated Property |
| Pvap | 6.41 | kPa | 422.09 | Calculated Property |
| Pvap | 12.35 | kPa | 441.63 | Calculated Property |
| Pvap | 22.23 | kPa | 461.17 | Calculated Property |
| Pvap | 37.75 | kPa | 480.72 | Calculated Property |
| Pvap | 60.98 | kPa | 500.26 | Calculated Property |
| Pvap | 94.34 | kPa | 519.80 | Calculated Property |
| Pvap | 140.57 | kPa | 539.35 | Calculated Property |
| Pvap | 202.66 | kPa | 558.89 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethyliodobenzene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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