- InChI
- InChI=1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
- InChI Key
- YRGAYAGBVIXNAQ-UHFFFAOYSA-N
- Formula
- C7H7ClO
- SMILES
- COc1ccc(Cl)cc1
- Molecular Weight1
- 142.58
- CAS
- 623-12-1
- Other Names
-
- 1-Chloro-4-methoxybenzene
- 1-Methoxy-4-chlorobenzene
- 4-Chloroanisole
- 4-Chlorophenol methyl ether
- Anisole, p-chloro-
- Anisyl chloride
- NSC 4129
- p-Chloroanisole
- p-Chloromethoxybenzene
- p-Chlorophenyl methyl ether
- p-Methoxychlorobenzene
- p-chloroanisol
- para-Chloroanisole
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -6.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.80 ± 0.80 | kJ/mol | NIST |
| IE | [7.79; 8.50] | eV |
|
| IE | 8.25 ± 0.03 | eV | NIST |
| IE | 7.79 | eV | NIST |
| IE | 8.18 | eV | NIST |
| IE | 8.50 ± 0.10 | eV | NIST |
| IE | 8.25 ± 0.15 | eV | NIST |
| log10WS | [-2.78; -2.78] |
|
|
| log10WS | -2.78 | Aq. Sol... | |
| log10WS | -2.78 | Estimat... | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Inp | [1077.00; 1131.70] |
|
|
| Inp | 1120.00 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1131.70 | NIST | |
| Inp | 1079.50 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1123.50 | NIST | |
| Inp | 1077.00 | NIST | |
| Inp | 1131.70 | NIST | |
| I | [1592.00; 1656.00] |
|
|
| I | 1592.00 | NIST | |
| I | 1648.00 | NIST | |
| I | 1656.00 | NIST | |
| I | 1645.00 | NIST | |
| I | 1630.00 | NIST | |
| I | 1607.00 | NIST | |
| I | 1613.00 | NIST | |
| Tboil | 473.20 | K | NIST |
| Tc | 670.60 | K | Joback Calculated Property |
| Tfus | 259.74 | K | Joback Calculated Property |
| Vc | 0.387 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.68; 237.62] | J/mol×K | [451.07; 670.60] |
|
| Cp,gas | 184.68 | J/mol×K | 451.07 | Joback Calculated Property |
| Cp,gas | 194.76 | J/mol×K | 487.66 | Joback Calculated Property |
| Cp,gas | 204.32 | J/mol×K | 524.25 | Joback Calculated Property |
| Cp,gas | 213.38 | J/mol×K | 560.84 | Joback Calculated Property |
| Cp,gas | 221.95 | J/mol×K | 597.42 | Joback Calculated Property |
| Cp,gas | 230.02 | J/mol×K | 634.01 | Joback Calculated Property |
| Cp,gas | 237.62 | J/mol×K | 670.60 | Joback Calculated Property |
| η | [0.0002283; 0.0017445] | Pa×s | [259.74; 451.07] |
|
| η | 0.0017445 | Pa×s | 259.74 | Joback Calculated Property |
| η | 0.0010328 | Pa×s | 291.63 | Joback Calculated Property |
| η | 0.0006780 | Pa×s | 323.52 | Joback Calculated Property |
| η | 0.0004800 | Pa×s | 355.41 | Joback Calculated Property |
| η | 0.0003597 | Pa×s | 387.29 | Joback Calculated Property |
| η | 0.0002817 | Pa×s | 419.18 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 451.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-methoxy-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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