- InChI
- InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
- InChI Key
- ISRGONDNXBCDBM-UHFFFAOYSA-N
- Formula
- C8H7Cl
- SMILES
- C=Cc1ccccc1Cl
- Molecular Weight1
- 138.59
- CAS
- 2039-87-4
- Other Names
-
- 1-Chloro-2-vinylbenzene
- Benzene, 1-chloro-2-ethenyl-
- Styrene, o-chloro-
- o-Chlorostyrene
- 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 | 0.2937 | Relay (1.0) Calculated Property | |
| ΔfG° | 195.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 118.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.983 | Crippen Calculated Property | |
| McVol | 107.760 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Tboil | 461.90 | K | NIST |
| Tc | 691.76 | K | Relay (1.0) Calculated Property |
| Tfus | 223.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 46.00 | kJ/mol | 443.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [332.20; 337.80] | K | [0.90; 1.30] |
|
| Tboilr | 332.20 | K | 0.90 | NIST |
| Tboilr | 337.80 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.08; 290.25] | 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 | -1.40900e+01 | |||
| Coefficient B | 6.12200e-01 | |||
| Coefficient C | -4.18860e-04 | |||
| Coefficient D | 1.11000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 181.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 205.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 242.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 257.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 270.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 280.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 290.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020587; 0.0002250] | Pa×s | [247.02; 470.24] |
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 | -1.08494e+01 | |||
| Coefficient B | 1.15204e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 247.02 | |||
| Temperature range, max. | 470.24 | |||
| η | 0.0020587 | Pa×s | 247.02 | Calculated Property |
| η | 0.0013452 | Pa×s | 271.82 | Calculated Property |
| η | 0.0009438 | Pa×s | 296.62 | Calculated Property |
| η | 0.0006994 | Pa×s | 321.43 | Calculated Property |
| η | 0.0005410 | Pa×s | 346.23 | Calculated Property |
| η | 0.0004331 | Pa×s | 371.03 | Calculated Property |
| η | 0.0003566 | Pa×s | 395.83 | Calculated Property |
| η | 0.0003003 | Pa×s | 420.64 | Calculated Property |
| η | 0.0002579 | Pa×s | 445.44 | Calculated Property |
| η | 0.0002250 | Pa×s | 470.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [336.84; 492.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46526e+01 | |||
| Coefficient B | -4.16255e+03 | |||
| Coefficient C | -4.70680e+01 | |||
| Temperature range, min. | 336.84 | |||
| Temperature range, max. | 492.68 | |||
| Pvap | 1.33 | kPa | 336.84 | Calculated Property |
| Pvap | 3.00 | kPa | 354.16 | Calculated Property |
| Pvap | 6.18 | kPa | 371.47 | Calculated Property |
| Pvap | 11.84 | kPa | 388.79 | Calculated Property |
| Pvap | 21.30 | kPa | 406.10 | Calculated Property |
| Pvap | 36.32 | kPa | 423.42 | Calculated Property |
| Pvap | 59.08 | kPa | 440.73 | Calculated Property |
| Pvap | 92.23 | kPa | 458.05 | Calculated Property |
| Pvap | 138.90 | kPa | 475.36 | Calculated Property |
| Pvap | 202.64 | kPa | 492.68 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorostyrene.
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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