- InChI
- InChI=1S/C2H4BrCl/c1-2(3)4/h2H,1H3
- InChI Key
- QMSVNDSDEZTYAS-UHFFFAOYSA-N
- Formula
- C2H4BrCl
- SMILES
- CC(Cl)Br
- Molecular Weight1
- 143.41
- CAS
- 593-96-4
- Other Names
-
- CH3CHClBr
- Ethane, 1-bromo-1-chloro-
- 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 | 0.2990 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 6.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.37; 10.42] | eV |
|
| IE | 10.37 | eV | NIST |
| IE | 10.42 | eV | NIST |
| log10WS | -1.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.966 | Crippen Calculated Property | |
| McVol | 68.780 | ml/mol | McGowan Calculated Property |
| Pc | 5327.93 | kPa | Joback Calculated Property |
| Tboil | 356.20 | K | NIST |
| Tc | 561.72 | K | Relay (1.0) Calculated Property |
| Tfus | 187.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.261 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [33.10; 46.70] | kJ/mol | [296.50; 323.00] |
|
| ΔvapH | 46.70 | kJ/mol | 296.50 | NIST |
| ΔvapH | 33.10 | kJ/mol | 323.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.10 ± 0.50 | K | 98.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [74.99; 140.39] | 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 | 2.04700e+01 | |||
| Coefficient B | 2.44720e-01 | |||
| Coefficient C | -1.80000e-04 | |||
| Coefficient D | 5.52000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 74.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 86.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 97.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 106.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 114.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 120.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 126.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 131.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 136.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 140.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049301; 0.0003214] | Pa×s | [187.02; 385.12] |
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 | -1.06203e+01 | |||
| Coefficient B | 9.92680e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 187.02 | |||
| Temperature range, max. | 385.12 | |||
| η | 0.0049301 | Pa×s | 187.02 | Calculated Property |
| η | 0.0028191 | Pa×s | 209.03 | Calculated Property |
| η | 0.0017932 | Pa×s | 231.04 | Calculated Property |
| η | 0.0012340 | Pa×s | 253.05 | Calculated Property |
| η | 0.0009015 | Pa×s | 275.07 | Calculated Property |
| η | 0.0006900 | Pa×s | 297.08 | Calculated Property |
| η | 0.0005480 | Pa×s | 319.09 | Calculated Property |
| η | 0.0004483 | Pa×s | 341.10 | Calculated Property |
| η | 0.0003758 | Pa×s | 363.11 | Calculated Property |
| η | 0.0003214 | Pa×s | 385.12 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [263.29; 382.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.18014e+01 | |||
| Coefficient B | -1.77343e+03 | |||
| Coefficient C | -1.09259e+02 | |||
| Temperature range, min. | 263.29 | |||
| Temperature range, max. | 382.52 | |||
| Pvap | 1.33 | kPa | 263.29 | Calculated Property |
| Pvap | 3.32 | kPa | 276.54 | Calculated Property |
| Pvap | 7.23 | kPa | 289.79 | Calculated Property |
| Pvap | 14.14 | kPa | 303.03 | Calculated Property |
| Pvap | 25.41 | kPa | 316.28 | Calculated Property |
| Pvap | 42.53 | kPa | 329.53 | Calculated Property |
| Pvap | 67.15 | kPa | 342.78 | Calculated Property |
| Pvap | 100.96 | kPa | 356.02 | Calculated Property |
| Pvap | 145.60 | kPa | 369.27 | Calculated Property |
| Pvap | 202.66 | kPa | 382.52 | Calculated Property |
| Pvap | [0.12; 99.65] | kPa | [237.00; 355.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.15597e+01 | |||
| Coefficient B | -1.68579e+03 | |||
| Coefficient C | -1.13519e+02 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 237.00 | |||
| Temperature range, max. | 355.80 | |||
| Pvap | 0.12 | kPa | 237.00 | Calculated Property |
| Pvap | 0.46 | kPa | 250.20 | Calculated Property |
| Pvap | 1.37 | kPa | 263.40 | Calculated Property |
| Pvap | 3.40 | kPa | 276.60 | Calculated Property |
| Pvap | 7.36 | kPa | 289.80 | Calculated Property |
| Pvap | 14.34 | kPa | 303.00 | Calculated Property |
| Pvap | 25.59 | kPa | 316.20 | Calculated Property |
| Pvap | 42.55 | kPa | 329.40 | Calculated Property |
| Pvap | 66.74 | kPa | 342.60 | Calculated Property |
| Pvap | 99.65 | kPa | 355.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-1-chloroethane.
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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