- InChI
- InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
- InChI Key
- DMEDNTFWIHCBRK-UHFFFAOYSA-N
- Formula
- C7H6Cl2
- SMILES
- Cc1c(Cl)cccc1Cl
- Molecular Weight1
- 161.03
- CAS
- 118-69-4
- Other Names
-
- 1,3-dichloro-2-methylbenzene
- 2,6-Dichlorotoluene
- 2,6-dichloro-1-methylbenzene
- Toluene, 2,6-dichloro-
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
- 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° | 77.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.302 | Crippen Calculated Property | |
| McVol | 110.210 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [1104.00; 1116.00] |
|
|
| Inp | 1104.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1104.00 | NIST | |
| Tboil | 472.70 | K | NIST |
| Tc | 700.48 | K | Joback Calculated Property |
| Tfus | 279.95 | K | Joback Calculated Property |
| Vc | 0.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.67; 234.30] | J/mol×K | [471.06; 700.48] |
|
| Cp,gas | 186.67 | J/mol×K | 471.06 | Joback Calculated Property |
| Cp,gas | 195.96 | J/mol×K | 509.30 | Joback Calculated Property |
| Cp,gas | 204.68 | J/mol×K | 547.53 | Joback Calculated Property |
| Cp,gas | 212.85 | J/mol×K | 585.77 | Joback Calculated Property |
| Cp,gas | 220.49 | J/mol×K | 624.01 | Joback Calculated Property |
| Cp,gas | 227.64 | J/mol×K | 662.24 | Joback Calculated Property |
| Cp,gas | 234.30 | J/mol×K | 700.48 | Joback Calculated Property |
| η | [0.0002751; 0.0016666] | Pa×s | [279.95; 471.06] |
|
| η | 0.0016666 | Pa×s | 279.95 | Joback Calculated Property |
| η | 0.0010588 | Pa×s | 311.80 | Joback Calculated Property |
| η | 0.0007317 | Pa×s | 343.65 | Joback Calculated Property |
| η | 0.0005384 | Pa×s | 375.50 | Joback Calculated Property |
| η | 0.0004156 | Pa×s | 407.36 | Joback Calculated Property |
| η | 0.0003331 | Pa×s | 439.21 | Joback Calculated Property |
| η | 0.0002751 | Pa×s | 471.06 | Joback Calculated Property |
| ΔfusH | 10.70 | kJ/mol | 272.00 | NIST |
| Pvap | [0.03; 0.35] | kPa | [274.20; 305.30] |
|
| Pvap | 0.03 | kPa | 274.20 | Vaporiz... |
| Pvap | 0.04 | kPa | 276.20 | Vaporiz... |
| Pvap | 0.05 | kPa | 278.20 | Vaporiz... |
| Pvap | 0.06 | kPa | 280.20 | Vaporiz... |
| Pvap | 0.07 | kPa | 282.20 | Vaporiz... |
| Pvap | 0.08 | kPa | 284.20 | Vaporiz... |
| Pvap | 0.11 | kPa | 288.20 | Vaporiz... |
| Pvap | 0.13 | kPa | 291.20 | Vaporiz... |
| Pvap | 0.15 | kPa | 293.20 | Vaporiz... |
| Pvap | 0.19 | kPa | 296.20 | Vaporiz... |
| Pvap | 0.22 | kPa | 298.20 | Vaporiz... |
| Pvap | 0.27 | kPa | 301.30 | Vaporiz... |
| Pvap | 0.35 | kPa | 305.30 | Vaporiz... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [344.42; 505.37] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38109e+01 | |||
| Coefficient B | -3.68225e+03 | |||
| Coefficient C | -7.21300e+01 | |||
| Temperature range, min. | 344.42 | |||
| Temperature range, max. | 505.37 | |||
| Pvap | 1.33 | kPa | 344.42 | Calculated Property |
| Pvap | 3.07 | kPa | 362.30 | Calculated Property |
| Pvap | 6.41 | kPa | 380.19 | Calculated Property |
| Pvap | 12.35 | kPa | 398.07 | Calculated Property |
| Pvap | 22.22 | kPa | 415.95 | Calculated Property |
| Pvap | 37.74 | kPa | 433.84 | Calculated Property |
| Pvap | 60.96 | kPa | 451.72 | Calculated Property |
| Pvap | 94.32 | kPa | 469.60 | Calculated Property |
| Pvap | 140.55 | kPa | 487.49 | Calculated Property |
| Pvap | 202.66 | kPa | 505.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dichloro-2-methyl-.
Mixtures
- Benzene, 1,3-dichloro-2-methyl- + Furfural + Water
- Pentanoic acid, 4-oxo- + Benzene, 1,3-dichloro-2-methyl- + Water
Sources
- Crippen Method
- Crippen Method
- Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes
- Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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