- InChI
- InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
- InChI Key
- WYUIWKFIFOJVKW-UHFFFAOYSA-N
- Formula
- C7H6Cl2
- SMILES
- Cc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 161.03
- CAS
- 95-75-0
- Other Names
-
- 3,4-Dichlorotoluene
- Toluene, 3,4-dichloro-
- 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.
- 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 | 0.3435 | Relay (1.0) Calculated Property | |
| ΔfG° | 77.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | NIST |
| log10WS | -3.77 | Relay (1.0) 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 | [1125.00; 1139.00] |
|
|
| Inp | 1126.30 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Tboil | 482.10 | K | NIST |
| Tc | 710.28 | K | Relay (1.0) Calculated Property |
| Tfus | 257.90 ± 0.02 | K | NIST |
| Vc | 0.411 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.40 | kJ/mol | 460.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 473.70 | K | 98.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.63; 272.40] | 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 | 1.70000e+01 | |||
| Coefficient B | 4.84520e-01 | |||
| Coefficient C | -2.94920e-04 | |||
| Coefficient D | 6.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 197.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 214.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 230.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 243.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 254.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 264.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 272.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024362; 0.0002477] | Pa×s | [257.90; 490.54] |
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 | -1.08374e+01 | |||
| Coefficient B | 1.24310e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 257.90 | |||
| Temperature range, max. | 490.54 | |||
| η | 0.0024362 | Pa×s | 257.90 | Calculated Property |
| η | 0.0015704 | Pa×s | 283.75 | Calculated Property |
| η | 0.0010893 | Pa×s | 309.60 | Calculated Property |
| η | 0.0007994 | Pa×s | 335.45 | Calculated Property |
| η | 0.0006132 | Pa×s | 361.30 | Calculated Property |
| η | 0.0004874 | Pa×s | 387.15 | Calculated Property |
| η | 0.0003986 | Pa×s | 413.00 | Calculated Property |
| η | 0.0003339 | Pa×s | 438.85 | Calculated Property |
| η | 0.0002852 | Pa×s | 464.69 | Calculated Property |
| η | 0.0002477 | Pa×s | 490.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [353.14; 514.74] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39535e+01 | |||
| Coefficient B | -3.79884e+03 | |||
| Coefficient C | -7.51600e+01 | |||
| Temperature range, min. | 353.14 | |||
| Temperature range, max. | 514.74 | |||
| Pvap | 1.33 | kPa | 353.14 | Calculated Property |
| Pvap | 3.05 | kPa | 371.10 | Calculated Property |
| Pvap | 6.37 | kPa | 389.05 | Calculated Property |
| Pvap | 12.25 | kPa | 407.01 | Calculated Property |
| Pvap | 22.05 | kPa | 424.96 | Calculated Property |
| Pvap | 37.48 | kPa | 442.92 | Calculated Property |
| Pvap | 60.62 | kPa | 460.87 | Calculated Property |
| Pvap | 93.94 | kPa | 478.83 | Calculated Property |
| Pvap | 140.26 | kPa | 496.78 | Calculated Property |
| Pvap | 202.65 | kPa | 514.74 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dichloro-4-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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