- InChI
- InChI=1S/C4H7BrCl2/c1-3(6)4(7)2-5/h3-4H,2H2,1H3
- InChI Key
- KXJKILOJEOGJHV-UHFFFAOYSA-N
- Formula
- C4H7BrCl2
- SMILES
- CC(Cl)C(Cl)CBr
- Molecular Weight1
- 205.91
- CAS
- 38585-79-4
- 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).
- 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 | 0.3779 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 109.200 | ml/mol | McGowan Calculated Property |
| Pc | 3950.57 | kPa | Joback Calculated Property |
| Tboil | 451.91 | K | Relay (1.0) Calculated Property |
| Tc | 663.67 | K | Relay (1.0) Calculated Property |
| Tfus | 265.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.50; 252.38] | 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 | 2.98610e+01 | |||
| Coefficient B | 4.47420e-01 | |||
| Coefficient C | -3.12400e-04 | |||
| Coefficient D | 8.75000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 172.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 204.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 216.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 227.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 236.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 252.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075075; 0.0003366] | Pa×s | [224.48; 450.18] |
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 | -1.10846e+01 | |||
| Coefficient B | 1.39014e+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. | 224.48 | |||
| Temperature range, max. | 450.18 | |||
| η | 0.0075075 | Pa×s | 224.48 | Calculated Property |
| η | 0.0040293 | Pa×s | 249.56 | Calculated Property |
| η | 0.0024229 | Pa×s | 274.64 | Calculated Property |
| η | 0.0015863 | Pa×s | 299.71 | Calculated Property |
| η | 0.0011088 | Pa×s | 324.79 | Calculated Property |
| η | 0.0008159 | Pa×s | 349.87 | Calculated Property |
| η | 0.0006255 | Pa×s | 374.95 | Calculated Property |
| η | 0.0004957 | Pa×s | 400.03 | Calculated Property |
| η | 0.0004039 | Pa×s | 425.10 | Calculated Property |
| η | 0.0003366 | Pa×s | 450.18 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-2,3-dichlorobutane.
Sources
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