- InChI
- InChI=1S/C8H8Cl2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
- InChI Key
- GCXHSBQTVXCWBK-UHFFFAOYSA-N
- Formula
- C8H8Cl2
- SMILES
- ClCC(Cl)c1ccccc1
- Molecular Weight1
- 175.06
- CAS
- 1074-11-9
- Other Names
-
- (1,2-Dichloroethyl)benzene
- 1,2-Dichloro-1-phenylethane
- 1-Phenyl-1,2-dichloroethane
- Styrene dichloride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -35.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.205 | Crippen Calculated Property | |
| McVol | 124.300 | ml/mol | McGowan Calculated Property |
| Inp | 1249.00 | NIST | |
| Tboil | 491.43 | K | Relay (1.0) Calculated Property |
| Tfus | 304.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 394.50 ± 3.50 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.43; 330.61] | 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 | -1.41890e+01 | |||
| Coefficient B | 7.04400e-01 | |||
| Coefficient C | -4.86600e-04 | |||
| Coefficient D | 1.27000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 236.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 279.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 295.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 309.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 320.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 330.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045517; 0.0002458] | Pa×s | [251.18; 498.53] |
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 | -1.12749e+01 | |||
| Coefficient B | 1.47760e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 251.18 | |||
| Temperature range, max. | 498.53 | |||
| η | 0.0045517 | Pa×s | 251.18 | Calculated Property |
| η | 0.0025481 | Pa×s | 278.66 | Calculated Property |
| η | 0.0015830 | Pa×s | 306.15 | Calculated Property |
| η | 0.0010637 | Pa×s | 333.63 | Calculated Property |
| η | 0.0007593 | Pa×s | 361.11 | Calculated Property |
| η | 0.0005685 | Pa×s | 388.59 | Calculated Property |
| η | 0.0004423 | Pa×s | 416.08 | Calculated Property |
| η | 0.0003549 | Pa×s | 443.56 | Calculated Property |
| η | 0.0002922 | Pa×s | 471.04 | Calculated Property |
| η | 0.0002458 | Pa×s | 498.53 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [372.82; 533.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43791e+01 | |||
| Coefficient B | -4.09811e+03 | |||
| Coefficient C | -8.19990e+01 | |||
| Temperature range, min. | 372.82 | |||
| Temperature range, max. | 533.95 | |||
| Pvap | 1.33 | kPa | 372.82 | Calculated Property |
| Pvap | 3.02 | kPa | 390.72 | Calculated Property |
| Pvap | 6.25 | kPa | 408.63 | Calculated Property |
| Pvap | 11.99 | kPa | 426.53 | Calculated Property |
| Pvap | 21.58 | kPa | 444.43 | Calculated Property |
| Pvap | 36.75 | kPa | 462.34 | Calculated Property |
| Pvap | 59.65 | kPa | 480.24 | Calculated Property |
| Pvap | 92.88 | kPa | 498.14 | Calculated Property |
| Pvap | 139.42 | kPa | 516.05 | Calculated Property |
| Pvap | 202.65 | kPa | 533.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1,2-dichloroethyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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