- InChI
- InChI=1S/C7H6Cl2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
- InChI Key
- KZLMCDNAVVJKPX-UHFFFAOYSA-N
- Formula
- C7H6Cl2O
- SMILES
- COc1c(Cl)cccc1Cl
- Molecular Weight1
- 177.03
- CAS
- 1984-65-2
- Other Names
-
- 2,6-Dichloroanisole
- Benzene, 2,6-dichloro-1-methoxy
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.4042 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Aq. Solubility Prediction | |
| logPoct/wat | 3.002 | Crippen Calculated Property | |
| McVol | 116.080 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Inp | [1163.00; 1215.00] |
|
|
| Inp | 1190.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1174.10 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Ip | [1676.00; 1733.00] |
|
|
| Ip | 1720.00 | NIST | |
| Ip | 1732.00 | NIST | |
| Ip | 1733.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Ip | 1676.00 | NIST | |
| Ip | 1690.00 | NIST | |
| Ip | 1720.00 | NIST | |
| Ip | 1706.00 | NIST | |
| Tboil | 473.77 | K | Relay (1.0) Calculated Property |
| Tc | 720.51 | K | Relay (1.0) Calculated Property |
| Tfus | 283.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 56.10 | kJ/mol | 298.15 | Thermochemical study of four isomers of dichloroanisole |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.04; 290.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.25000e+01 | |||
| Coefficient B | 4.21320e-01 | |||
| Coefficient C | -1.83920e-04 | |||
| Coefficient D | 1.10000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 230.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 246.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 282.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 290.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018231; 0.0002198] | Pa×s | [283.15; 504.52] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11287e+01 | |||
| Coefficient B | 1.36519e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 283.15 | |||
| Temperature range, max. | 504.52 | |||
| η | 0.0018231 | Pa×s | 283.15 | Calculated Property |
| η | 0.0012401 | Pa×s | 307.75 | Calculated Property |
| η | 0.0008930 | Pa×s | 332.34 | Calculated Property |
| η | 0.0006729 | Pa×s | 356.94 | Calculated Property |
| η | 0.0005258 | Pa×s | 381.54 | Calculated Property |
| η | 0.0004234 | Pa×s | 406.13 | Calculated Property |
| η | 0.0003494 | Pa×s | 430.73 | Calculated Property |
| η | 0.0002945 | Pa×s | 455.32 | Calculated Property |
| η | 0.0002525 | Pa×s | 479.92 | Calculated Property |
| η | 0.0002198 | Pa×s | 504.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dichloro-2-methoxy-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Thermochemical study of four isomers of dichloroanisole
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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