- InChI
- InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
- InChI Key
- RINOYHWVBUKAQE-UHFFFAOYSA-N
- Formula
- C7H7I
- SMILES
- Cc1ccccc1I
- Molecular Weight1
- 218.03
- CAS
- 615-37-2
- Other Names
-
- 1-Iodo-2-methylbenzene
- 2-Iodotoluene
- Toluene, o-iodo-
- o-Iodotoluene
- o-Methyliodobenzene
- o-Tolyl iodide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| PAff | 780.30 | kJ/mol | NIST |
| BasG | 750.80 | kJ/mol | NIST |
| ΔcH°liquid | -3833.40 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 168.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 133.00 ± 5.90 | kJ/mol | NIST |
| ΔfH°liquid | 78.20 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 11.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 ± 4.20 | kJ/mol | NIST |
| IE | [8.40; 8.65] | eV |
|
| IE | 8.40 | eV | NIST |
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 8.62 ± 0.01 | eV | NIST |
| IE | 8.65 | eV | NIST |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.600 | Crippen Calculated Property | |
| McVol | 111.550 | ml/mol | McGowan Calculated Property |
| Pc | 3925.85 | kPa | Joback Calculated Property |
| Inp | [1122.40; 1150.00] |
|
|
| Inp | 1122.40 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Inp | 1122.40 | NIST | |
| I | [1749.00; 1749.00] |
|
|
| I | 1749.00 | NIST | |
| I | 1749.00 | NIST | |
| Tboil | 484.70 | K | NIST |
| Tc | 737.63 | K | Joback Calculated Property |
| Tfus | 265.65 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.77; 234.79] | J/mol×K | [484.36; 737.63] |
|
| Cp,gas | 182.77 | J/mol×K | 484.36 | Joback Calculated Property |
| Cp,gas | 193.27 | J/mol×K | 526.57 | Joback Calculated Property |
| Cp,gas | 202.97 | J/mol×K | 568.78 | Joback Calculated Property |
| Cp,gas | 211.92 | J/mol×K | 610.99 | Joback Calculated Property |
| Cp,gas | 220.18 | J/mol×K | 653.20 | Joback Calculated Property |
| Cp,gas | 227.78 | J/mol×K | 695.42 | Joback Calculated Property |
| Cp,gas | 234.79 | J/mol×K | 737.63 | Joback Calculated Property |
| η | [0.0003205; 0.0029563] | Pa×s | [265.65; 484.36] |
|
| η | 0.0029563 | Pa×s | 265.65 | Joback Calculated Property |
| η | 0.0016327 | Pa×s | 302.10 | Joback Calculated Property |
| η | 0.0010247 | Pa×s | 338.55 | Joback Calculated Property |
| η | 0.0007040 | Pa×s | 375.00 | Joback Calculated Property |
| η | 0.0005170 | Pa×s | 411.46 | Joback Calculated Property |
| η | 0.0003992 | Pa×s | 447.91 | Joback Calculated Property |
| η | 0.0003205 | Pa×s | 484.36 | Joback Calculated Property |
| ΔvapH | 49.70 | kJ/mol | 397.00 | NIST |
| Pvap | [0.02; 0.28] | kPa | [283.20; 325.10] |
|
| Pvap | 0.02 | kPa | 283.20 | Thermoc... |
| Pvap | 0.02 | kPa | 288.20 | Thermoc... |
| Pvap | 0.04 | kPa | 293.20 | Thermoc... |
| Pvap | 0.06 | kPa | 301.20 | Thermoc... |
| Pvap | 0.08 | kPa | 304.20 | Thermoc... |
| Pvap | 0.09 | kPa | 307.40 | Thermoc... |
| Pvap | 0.11 | kPa | 310.30 | Thermoc... |
| Pvap | 0.14 | kPa | 313.10 | Thermoc... |
| Pvap | 0.17 | kPa | 316.20 | Thermoc... |
| Pvap | 0.20 | kPa | 319.30 | Thermoc... |
| Pvap | 0.23 | kPa | 322.10 | Thermoc... |
| Pvap | 0.28 | kPa | 325.10 | Thermoc... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [354.72; 517.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39088e+01 | |||
| Coefficient B | -3.79809e+03 | |||
| Coefficient C | -7.58830e+01 | |||
| Temperature range, min. | 354.72 | |||
| Temperature range, max. | 517.66 | |||
| Pvap | 1.33 | kPa | 354.72 | Calculated Property |
| Pvap | 3.06 | kPa | 372.82 | Calculated Property |
| Pvap | 6.38 | kPa | 390.93 | Calculated Property |
| Pvap | 12.28 | kPa | 409.03 | Calculated Property |
| Pvap | 22.11 | kPa | 427.14 | Calculated Property |
| Pvap | 37.56 | kPa | 445.24 | Calculated Property |
| Pvap | 60.72 | kPa | 463.35 | Calculated Property |
| Pvap | 94.06 | kPa | 481.45 | Calculated Property |
| Pvap | 140.34 | kPa | 499.56 | Calculated Property |
| Pvap | 202.65 | kPa | 517.66 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-iodo-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Thermochemistry of Halogen-Substituted Methylbenzenes
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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