- 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
-
- 2,4,6-trimethyliodobenzene
- Benzene, 2-iodo-1,3,5-trimethyl-
- Iodo-2,4,6-trimethylbenzene
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3693 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) 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 | 521.11 | K | Relay (1.0) Calculated Property |
| Tc | 752.11 | K | Relay (1.0) Calculated Property |
| Tfus | 302.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.88; 365.17] | 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 | 1.53900e+01 | |||
| Coefficient B | 6.40460e-01 | |||
| Coefficient C | -3.77280e-04 | |||
| Coefficient D | 8.66000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 198.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 229.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 257.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 281.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 302.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 321.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 338.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 352.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 365.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019829; 0.0002481] | Pa×s | [302.15; 550.22] |
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 | -1.08333e+01 | |||
| Coefficient B | 1.39294e+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. | 302.15 | |||
| Temperature range, max. | 550.22 | |||
| η | 0.0019829 | Pa×s | 302.15 | Calculated Property |
| η | 0.0013487 | Pa×s | 329.71 | Calculated Property |
| η | 0.0009736 | Pa×s | 357.28 | Calculated Property |
| η | 0.0007364 | Pa×s | 384.84 | Calculated Property |
| η | 0.0005781 | Pa×s | 412.40 | Calculated Property |
| η | 0.0004679 | Pa×s | 439.97 | Calculated Property |
| η | 0.0003882 | Pa×s | 467.53 | Calculated Property |
| η | 0.0003289 | Pa×s | 495.10 | Calculated Property |
| η | 0.0002835 | Pa×s | 522.66 | Calculated Property |
| η | 0.0002481 | Pa×s | 550.22 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [383.00; 558.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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-Iodomesitylene.
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
- The Yaws Handbook of Vapor Pressure
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