- InChI
- InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
- InChI Key
- SYSZENVIJHPFNL-UHFFFAOYSA-N
- Formula
- C7H7IO
- SMILES
- COc1ccc(I)cc1
- Molecular Weight1
- 234.03
- CAS
- 696-62-8
- Other Names
-
- 1-Iodo-4-methoxybenzene
- 4-Iodoanisole
- 4-Iodomethoxybenzene
- 4-Methoxy-1-iodobenzene
- 4-Methoxyiodobenzene
- 4-Methoxyphenyl iodide
- Anisole, 4-iodo-
- Anisole, p-iodo-
- Benzene, 1-iodo-4-methoxy-
- Isoform
- NSC 60727
- p-Iodoanisol
- p-Iodomethoxybenzene
- p-Iodophenyl methyl ether
- p-Methoxyiodobenzene
- p-Methoxyphenyl iodide
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3751 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 16.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.10 ± 0.40 | kJ/mol | NIST |
| IE | 7.97 | eV | NIST |
| log10WS | -3.66 | 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 |
| Inp | [1326.00; 1326.00] |
|
|
| Inp | 1326.00 | NIST | |
| Inp | 1326.00 | NIST | |
| I | 1852.00 | NIST | |
| Tboil | 524.79 | K | Relay (1.0) Calculated Property |
| Tc | 746.58 | K | Relay (1.0) Calculated Property |
| Tfus | 312.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | 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 | [53.10; 83.40] | kJ/mol | [298.15; 460.50] |
|
| ΔvapH | 83.40 | kJ/mol | 298.15 | Experimental and computational study of the molecular energetics of the monoiodoanisole isomers |
| ΔvapH | 53.10 ± 0.40 | kJ/mol | 440.00 | NIST |
| ΔvapH | 54.40 | kJ/mol | 460.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 510.20 | K | 96.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [380.33; 542.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49989e+01 | |||
| Coefficient B | -4.61300e+03 | |||
| Coefficient C | -6.67600e+01 | |||
| Temperature range, min. | 380.33 | |||
| Temperature range, max. | 542.95 | |||
| Pvap | 1.33 | kPa | 380.33 | Calculated Property |
| Pvap | 2.97 | kPa | 398.40 | Calculated Property |
| Pvap | 6.10 | kPa | 416.47 | Calculated Property |
| Pvap | 11.66 | kPa | 434.54 | Calculated Property |
| Pvap | 20.97 | kPa | 452.61 | Calculated Property |
| Pvap | 35.81 | kPa | 470.67 | Calculated Property |
| Pvap | 58.39 | kPa | 488.74 | Calculated Property |
| Pvap | 91.47 | kPa | 506.81 | Calculated Property |
| Pvap | 138.31 | kPa | 524.88 | Calculated Property |
| Pvap | 202.66 | kPa | 542.95 | Calculated Property |
Similar Compounds
Find more compounds similar to p-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
- The Yaws Handbook of Vapor Pressure
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