- InChI
- InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
- InChI Key
- VLCPISYURGTGLP-UHFFFAOYSA-N
- Formula
- C7H7I
- SMILES
- Cc1cccc(I)c1
- Molecular Weight1
- 218.03
- CAS
- 625-95-6
- Other Names
-
- 1-Iodo-3-methylbenzene
- 3-Iodotoluene
- Toluene, m-iodo-
- m-Iodotoluene
- m-Methyliodobenzene
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔcH°liquid | -3834.20 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 168.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 133.00 ± 5.90 | kJ/mol | NIST |
| ΔfH°liquid | 79.10 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 11.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 ± 4.20 | kJ/mol | NIST |
| IE | [8.60; 8.61] | eV |
|
| IE | 8.60 ± 0.10 | eV | NIST |
| IE | 8.61 ± 0.03 | 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 | [1121.80; 1148.00] |
|
|
| Inp | 1121.80 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1121.80 | NIST | |
| I | 1674.00 | NIST | |
| Tboil | 486.20 | 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 |
| Pvap | [7.15e-03; 0.11] | kPa | [275.70; 313.10] |
|
| Pvap | 7.15e-03 | kPa | 275.70 | Thermoc... |
| Pvap | 9.36e-03 | kPa | 279.30 | Thermoc... |
| Pvap | 0.01 | kPa | 281.90 | Thermoc... |
| Pvap | 0.01 | kPa | 283.50 | Thermoc... |
| Pvap | 0.02 | kPa | 286.40 | Thermoc... |
| Pvap | 0.02 | kPa | 289.30 | Thermoc... |
| Pvap | 0.02 | kPa | 289.30 | Thermoc... |
| Pvap | 0.03 | kPa | 293.10 | Thermoc... |
| Pvap | 0.03 | kPa | 293.20 | Thermoc... |
| Pvap | 0.04 | kPa | 298.10 | Thermoc... |
| Pvap | 0.04 | kPa | 298.20 | Thermoc... |
| Pvap | 0.05 | kPa | 302.90 | Thermoc... |
| Pvap | 0.06 | kPa | 302.90 | Thermoc... |
| Pvap | 0.08 | kPa | 308.00 | Thermoc... |
| Pvap | 0.08 | kPa | 308.00 | Thermoc... |
| Pvap | 0.11 | kPa | 313.10 | Thermoc... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [355.92; 519.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.39134e+01 | |||
| Coefficient B | -3.81005e+03 | |||
| Coefficient C | -7.63000e+01 | |||
| Temperature range, min. | 355.92 | |||
| Temperature range, max. | 519.23 | |||
| Pvap | 1.33 | kPa | 355.92 | Calculated Property |
| Pvap | 3.06 | kPa | 374.07 | Calculated Property |
| Pvap | 6.38 | kPa | 392.21 | Calculated Property |
| Pvap | 12.28 | kPa | 410.36 | Calculated Property |
| Pvap | 22.10 | kPa | 428.50 | Calculated Property |
| Pvap | 37.55 | kPa | 446.65 | Calculated Property |
| Pvap | 60.71 | kPa | 464.79 | Calculated Property |
| Pvap | 94.05 | kPa | 482.94 | Calculated Property |
| Pvap | 140.33 | kPa | 501.08 | Calculated Property |
| Pvap | 202.65 | kPa | 519.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-iodo-3-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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