- InChI
- InChI=1S/C8H7Cl3/c9-8(10,11)6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- XFEKIQFBJSDMQB-UHFFFAOYSA-N
- Formula
- C8H7Cl3
- SMILES
- ClC(Cl)(Cl)Cc1ccccc1
- Molecular Weight1
- 209.50
- CAS
- 3883-13-4
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.3264 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.599 | Crippen Calculated Property | |
| McVol | 136.540 | ml/mol | McGowan Calculated Property |
| Pc | 3276.53 | kPa | Joback Calculated Property |
| Inp | [1279.00; 1301.00] |
|
|
| Inp | 1301.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1279.00 | NIST | |
| Tboil | 508.96 | K | Relay (1.0) Calculated Property |
| Tc | 730.52 | K | Relay (1.0) Calculated Property |
| Tfus | 271.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.69; 339.81] | 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 | -2.40890e+01 | |||
| Coefficient B | 8.31100e-01 | |||
| Coefficient C | -6.75600e-04 | |||
| Coefficient D | 2.08400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 275.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 330.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 339.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0037480; 0.0002435] | Pa×s | [298.52; 533.76] |
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 | -1.17893e+01 | |||
| Coefficient B | 1.85164e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 298.52 | |||
| Temperature range, max. | 533.76 | |||
| η | 0.0037480 | Pa×s | 298.52 | Calculated Property |
| η | 0.0022747 | Pa×s | 324.66 | Calculated Property |
| η | 0.0014872 | Pa×s | 350.80 | Calculated Property |
| η | 0.0010314 | Pa×s | 376.93 | Calculated Property |
| η | 0.0007500 | Pa×s | 403.07 | Calculated Property |
| η | 0.0005670 | Pa×s | 429.21 | Calculated Property |
| η | 0.0004426 | Pa×s | 455.35 | Calculated Property |
| η | 0.0003549 | Pa×s | 481.48 | Calculated Property |
| η | 0.0002912 | Pa×s | 507.62 | Calculated Property |
| η | 0.0002435 | Pa×s | 533.76 | Calculated Property |
Similar Compounds
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Sources
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