- InChI
- InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
- InChI Key
- YJCVRMIJBXTMNR-UHFFFAOYSA-N
- Formula
- C8H6Cl2
- SMILES
- C=Cc1c(Cl)cccc1Cl
- Molecular Weight1
- 173.04
- CAS
- 28469-92-3
- Other Names
-
- 1,3-Dichloro-2-vinylbenzene
- Benzene, 1,3-dichloro-2-ethenyl-
- 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).
- 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 | 0.3438 | Relay (1.0) Calculated Property | |
| ΔfG° | 173.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 102.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.80 ± 1.50 | kJ/mol | NIST |
| IE | 8.70 ± 0.02 | eV | NIST |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.636 | Crippen Calculated Property | |
| McVol | 120.000 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 479.25 | K | Relay (1.0) Calculated Property |
| Tc | 723.19 | K | Relay (1.0) Calculated Property |
| Tfus | 362.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 50.40 | kJ/mol | 405.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [337.70; 362.20] | K | [0.40; 1.00] |
|
| Tboilr | 337.70 | K | 0.40 | NIST |
| Tboilr | 362.20 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.04; 295.48] | 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 | 1.31000e+01 | |||
| Coefficient B | 5.59500e-01 | |||
| Coefficient C | -3.72220e-04 | |||
| Coefficient D | 9.51000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 193.75 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 215.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 234.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 250.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 264.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 276.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 295.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006656; 0.0002462] | Pa×s | [362.15; 505.22] |
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 | -1.08275e+01 | |||
| Coefficient B | 1.27210e+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. | 362.15 | |||
| Temperature range, max. | 505.22 | |||
| η | 0.0006656 | Pa×s | 362.15 | Calculated Property |
| η | 0.0005742 | Pa×s | 378.05 | Calculated Property |
| η | 0.0005013 | Pa×s | 393.94 | Calculated Property |
| η | 0.0004423 | Pa×s | 409.84 | Calculated Property |
| η | 0.0003939 | Pa×s | 425.73 | Calculated Property |
| η | 0.0003537 | Pa×s | 441.63 | Calculated Property |
| η | 0.0003200 | Pa×s | 457.53 | Calculated Property |
| η | 0.0002915 | Pa×s | 473.42 | Calculated Property |
| η | 0.0002671 | Pa×s | 489.32 | Calculated Property |
| η | 0.0002462 | Pa×s | 505.22 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.07; 202.65] | kPa | [362.15; 536.66] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51217e+01 | |||
| Coefficient B | -4.91656e+03 | |||
| Coefficient C | -3.54940e+01 | |||
| Temperature range, min. | 362.15 | |||
| Temperature range, max. | 536.66 | |||
| Pvap | 1.07 | kPa | 362.15 | Calculated Property |
| Pvap | 2.49 | kPa | 381.54 | Calculated Property |
| Pvap | 5.30 | kPa | 400.93 | Calculated Property |
| Pvap | 10.44 | kPa | 420.32 | Calculated Property |
| Pvap | 19.27 | kPa | 439.71 | Calculated Property |
| Pvap | 33.63 | kPa | 459.10 | Calculated Property |
| Pvap | 55.88 | kPa | 478.49 | Calculated Property |
| Pvap | 89.01 | kPa | 497.88 | Calculated Property |
| Pvap | 136.54 | kPa | 517.27 | Calculated Property |
| Pvap | 202.65 | kPa | 536.66 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dichlorostyrene.
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
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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