- InChI
- InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
- InChI Key
- RSHBAGGASAJQCH-UHFFFAOYSA-N
- Formula
- C7H7IO
- SMILES
- COc1cccc(I)c1
- Molecular Weight1
- 234.03
- CAS
- 766-85-8
- Other Names
-
- 1-iodo-3-methoxybenzene
- 3-Methoxyphenyl iodide
- Anisole, m-iodo-
- Benzene, 1-iodo-3-methoxy-
- m-Methoxyiodobenzene
- m-iodoanisole
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3646 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.300 | Crippen Calculated Property | |
| McVol | 117.420 | ml/mol | McGowan Calculated Property |
| Pc | 3843.54 | kPa | Joback Calculated Property |
| Tboil | 517.70 | K | NIST |
| Tc | 753.02 | K | Relay (1.0) Calculated Property |
| Tfus | 261.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.29; 255.25] | J/mol×K | [506.78; 756.60] | 
|
| Cp,gas | 203.29 | J/mol×K | 506.78 | Joback Calculated Property |
| Cp,gas | 213.57 | J/mol×K | 548.42 | Joback Calculated Property |
| Cp,gas | 223.17 | J/mol×K | 590.05 | Joback Calculated Property |
| Cp,gas | 232.11 | J/mol×K | 631.69 | Joback Calculated Property |
| Cp,gas | 240.42 | J/mol×K | 673.33 | Joback Calculated Property |
| Cp,gas | 248.13 | J/mol×K | 714.96 | Joback Calculated Property |
| Cp,gas | 255.25 | J/mol×K | 756.60 | Joback Calculated Property |
| η | [0.0002641; 0.0022544] | Pa×s | [287.88; 506.78] |
|
| η | 0.0022544 | Pa×s | 287.88 | Joback Calculated Property |
| η | 0.0012898 | Pa×s | 324.36 | Joback Calculated Property |
| η | 0.0008261 | Pa×s | 360.85 | Joback Calculated Property |
| η | 0.0005743 | Pa×s | 397.33 | Joback Calculated Property |
| η | 0.0004244 | Pa×s | 433.81 | Joback Calculated Property |
| η | 0.0003286 | Pa×s | 470.30 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 506.78 | Joback Calculated Property |
| ΔvapH | 62.50 | kJ/mol | 298.15 | Experimental and computational study of the molecular energetics of the monoiodoanisole isomers |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 396.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 3-Iodoanisole.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental and computational study of the molecular energetics of the monoiodoanisole isomers
- Joback Method
- McGowan Method
- NIST Webbook
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