- InChI
- InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
- InChI Key
- BOVQCIDBZXNFEJ-UHFFFAOYSA-N
- Formula
- C8H7Cl
- SMILES
- C=Cc1cccc(Cl)c1
- Molecular Weight1
- 138.59
- CAS
- 2039-85-2
- Other Names
-
- 3-Chlorostyrene
- 3-ClC6H4CH=CH2
- Styrene, m-chloro-
- m-Chlorostyrene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| PAff | 841.50 | kJ/mol | NIST |
| BasG | 812.60 | kJ/mol | NIST |
| ΔfG° | 195.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 126.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.06 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen 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 | 448.21 | K | Joback Calculated Property |
| Tc | 671.47 | K | Joback Calculated Property |
| Tfus | 247.02 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.15; 241.74] | J/mol×K | [448.21; 671.47] | 
|
| Cp,gas | 186.15 | J/mol×K | 448.21 | Joback Calculated Property |
| Cp,gas | 197.08 | J/mol×K | 485.42 | Joback Calculated Property |
| Cp,gas | 207.30 | J/mol×K | 522.63 | Joback Calculated Property |
| Cp,gas | 216.84 | J/mol×K | 559.84 | Joback Calculated Property |
| Cp,gas | 225.74 | J/mol×K | 597.05 | Joback Calculated Property |
| Cp,gas | 234.03 | J/mol×K | 634.26 | Joback Calculated Property |
| Cp,gas | 241.74 | J/mol×K | 671.47 | Joback Calculated Property |
| η | [0.0002538; 0.0020587] | Pa×s | [247.02; 448.21] |
|
| η | 0.0020587 | Pa×s | 247.02 | Joback Calculated Property |
| η | 0.0011790 | Pa×s | 280.55 | Joback Calculated Property |
| η | 0.0007605 | Pa×s | 314.08 | Joback Calculated Property |
| η | 0.0005339 | Pa×s | 347.62 | Joback Calculated Property |
| η | 0.0003989 | Pa×s | 381.15 | Joback Calculated Property |
| η | 0.0003124 | Pa×s | 414.68 | Joback Calculated Property |
| η | 0.0002538 | Pa×s | 448.21 | Joback Calculated Property |
| ΔvapH | 46.10 | kJ/mol | 380.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [340.60; 492.55] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51967e+01 | |||
| Coefficient B | -4.45746e+03 | |||
| Coefficient C | -4.16230e+01 | |||
| Temperature range, min. | 340.60 | |||
| Temperature range, max. | 492.55 | |||
| Pvap | 1.33 | kPa | 340.60 | Calculated Property |
| Pvap | 2.96 | kPa | 357.48 | Calculated Property |
| Pvap | 6.05 | kPa | 374.37 | Calculated Property |
| Pvap | 11.56 | kPa | 391.25 | Calculated Property |
| Pvap | 20.80 | kPa | 408.13 | Calculated Property |
| Pvap | 35.53 | kPa | 425.02 | Calculated Property |
| Pvap | 58.02 | kPa | 441.90 | Calculated Property |
| Pvap | 91.05 | kPa | 458.78 | Calculated Property |
| Pvap | 137.97 | kPa | 475.67 | Calculated Property |
| Pvap | 202.66 | kPa | 492.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-ethenyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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