- InChI
- InChI=1S/C8H9IO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
- InChI Key
- OASGOCIPNQWXLR-UHFFFAOYSA-N
- Formula
- C8H9IO
- SMILES
- COc1ccc(C)cc1I
- Molecular Weight1
- 248.06
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -15.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.608 | Crippen Calculated Property | |
| McVol | 131.510 | ml/mol | McGowan Calculated Property |
| Tboil | 513.69 | K | Relay (1.0) Calculated Property |
| Tc | 761.14 | K | Relay (1.0) Calculated Property |
| Tfus | 289.07 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.26; 301.74] | J/mol×K | [534.64; 780.62] | 
|
| Cp,gas | 244.26 | J/mol×K | 534.64 | Joback Calculated Property |
| Cp,gas | 255.47 | J/mol×K | 575.64 | Joback Calculated Property |
| Cp,gas | 266.00 | J/mol×K | 616.63 | Joback Calculated Property |
| Cp,gas | 275.88 | J/mol×K | 657.63 | Joback Calculated Property |
| Cp,gas | 285.12 | J/mol×K | 698.63 | Joback Calculated Property |
| Cp,gas | 293.73 | J/mol×K | 739.62 | Joback Calculated Property |
| Cp,gas | 301.74 | J/mol×K | 780.62 | Joback Calculated Property |
| η | [0.0002357; 0.0016901] | Pa×s | [311.67; 534.64] |
|
| η | 0.0016901 | Pa×s | 311.67 | Joback Calculated Property |
| η | 0.0010218 | Pa×s | 348.83 | Joback Calculated Property |
| η | 0.0006807 | Pa×s | 385.99 | Joback Calculated Property |
| η | 0.0004869 | Pa×s | 423.16 | Joback Calculated Property |
| η | 0.0003677 | Pa×s | 460.32 | Joback Calculated Property |
| η | 0.0002896 | Pa×s | 497.48 | Joback Calculated Property |
| η | 0.0002357 | Pa×s | 534.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Iodo-4-methoxytoluene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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