- InChI
- InChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
- InChI Key
- QGRPVMLBTFGQDQ-UHFFFAOYSA-N
- Formula
- C7H7ClO
- SMILES
- COc1ccccc1Cl
- Molecular Weight1
- 142.58
- CAS
- 766-51-8
- Other Names
-
- 1-Chloro-2-methoxybenzene
- 2-Chloroanisole
- 2-Chlorophenol methyl ether
- Anisole, o-chloro-
- NSC 155175
- o-Chloroanisole
- o-Chloromethoxybenzene
- o-Chlorophenyl methyl ether
- ortho-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).
- 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).
- 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° | 55.00 ± 0.80 | kJ/mol | NIST |
| IE | [8.30; 8.42] | eV |
|
| IE | 8.42 | eV | NIST |
| IE | 8.30 ± 0.15 | eV | NIST |
| log10WS | [-2.46; -2.46] |
|
|
| log10WS | -2.46 | Aq. Sol... | |
| log10WS | -2.46 | Estimat... | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 103.840 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Inp | [1089.00; 1135.60] |
|
|
| Inp | 1097.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | Outlier 1135.60 | NIST | |
| Inp | 1092.60 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1099.00 | NIST | |
| Inp | 1089.00 | NIST | |
| I | [1650.00; 1690.00] |
|
|
| I | 1689.00 | NIST | |
| I | 1690.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1650.00 | NIST | |
| I | 1657.00 | NIST | |
| Tboil | 468.70 | K | NIST |
| Tc | 670.60 | K | Joback Calculated Property |
| Tfus | [246.35; 246.59] | K |
|
| Tfus | 246.35 | K | Aq. Sol... |
| Tfus | 246.59 ± 0.05 | K | NIST |
| 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 |
| ΔvapH | 48.30 | kJ/mol | 424.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [350.86; 492.18] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.65956e+01 | |||
| Coefficient B | -5.17639e+03 | |||
| Coefficient C | -3.34430e+01 | |||
| Temperature range, min. | 350.86 | |||
| Temperature range, max. | 492.18 | |||
| Pvap | 1.33 | kPa | 350.86 | Calculated Property |
| Pvap | 2.88 | kPa | 366.56 | Calculated Property |
| Pvap | 5.79 | kPa | 382.26 | Calculated Property |
| Pvap | 10.97 | kPa | 397.97 | Calculated Property |
| Pvap | 19.72 | kPa | 413.67 | Calculated Property |
| Pvap | 33.83 | kPa | 429.37 | Calculated Property |
| Pvap | 55.71 | kPa | 445.07 | Calculated Property |
| Pvap | 88.44 | kPa | 460.78 | Calculated Property |
| Pvap | 135.86 | kPa | 476.48 | Calculated Property |
| Pvap | 202.67 | kPa | 492.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-methoxy-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.