- InChI
- InChI=1S/C2H3Br2Cl/c1-2(3,4)5/h1H3
- InChI Key
- GEFSLKMOZACLPI-UHFFFAOYSA-N
- Formula
- C2H3Br2Cl
- SMILES
- CC(Cl)(Br)Br
- Molecular Weight1
- 222.31
- CAS
- 594-17-2
- 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).
- 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 | 0.3564 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.689 | Crippen Calculated Property | |
| McVol | 86.280 | ml/mol | McGowan Calculated Property |
| Pc | 6009.25 | kPa | Joback Calculated Property |
| Tboil | 387.73 | K | Relay (1.0) Calculated Property |
| Tc | 593.83 | K | Relay (1.0) Calculated Property |
| Tfus | 274.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [87.83; 150.39] | 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 | 5.87000e+00 | |||
| Coefficient B | 4.02820e-01 | |||
| Coefficient C | -4.20000e-04 | |||
| Coefficient D | 1.61700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 87.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 102.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 114.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 124.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 131.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 136.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 140.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 143.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 146.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 150.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040938; 0.0003968] | Pa×s | [264.24; 452.96] |
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 | -1.10999e+01 | |||
| Coefficient B | 1.48018e+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. | 264.24 | |||
| Temperature range, max. | 452.96 | |||
| η | 0.0040938 | Pa×s | 264.24 | Calculated Property |
| η | 0.0027119 | Pa×s | 285.21 | Calculated Property |
| η | 0.0019007 | Pa×s | 306.18 | Calculated Property |
| η | 0.0013942 | Pa×s | 327.15 | Calculated Property |
| η | 0.0010616 | Pa×s | 348.11 | Calculated Property |
| η | 0.0008338 | Pa×s | 369.08 | Calculated Property |
| η | 0.0006721 | Pa×s | 390.05 | Calculated Property |
| η | 0.0005538 | Pa×s | 411.02 | Calculated Property |
| η | 0.0004650 | Pa×s | 431.99 | Calculated Property |
| η | 0.0003968 | Pa×s | 452.96 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Dibromo-1-chloro ethane.
Sources
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