- InChI
- InChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3
- InChI Key
- PUJJZGFFAQHYEX-UHFFFAOYSA-N
- Formula
- C3H6BrCl
- SMILES
- CC(Br)CCl
- Molecular Weight1
- 157.44
- CAS
- 3017-95-6
- Other Names
-
- 1-Chloro-2-bromopropane
- 2-Bromo-1-chloropropane
- 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).
- 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 | 0.3318 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.009 | Crippen Calculated Property | |
| McVol | 82.870 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Inp | [743.60; 747.00] |
|
|
| Inp | 743.60 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 743.60 | NIST | |
| Tboil | 389.70 | K | NIST |
| Tc | 605.14 | K | Relay (1.0) Calculated Property |
| Tfus | 207.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.299 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [391.00; 391.20] | K | [101.00; 101.00] |
|
| Tboilr | 391.20 | K | 101.00 | NIST |
| Tboilr | 391.00 | K | 101.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [96.20; 191.98] | 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 | 1.95610e+01 | |||
| Coefficient B | 3.39720e-01 | |||
| Coefficient C | -2.34400e-04 | |||
| Coefficient D | 6.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 96.20 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 113.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 128.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 141.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 152.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 162.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 171.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 179.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 185.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 191.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052743; 0.0003316] | Pa×s | [198.29; 400.40] |
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 | -1.07260e+01 | |||
| Coefficient B | 1.08684e+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. | 198.29 | |||
| Temperature range, max. | 400.40 | |||
| η | 0.0052743 | Pa×s | 198.29 | Calculated Property |
| η | 0.0030200 | Pa×s | 220.75 | Calculated Property |
| η | 0.0019168 | Pa×s | 243.20 | Calculated Property |
| η | 0.0013137 | Pa×s | 265.66 | Calculated Property |
| η | 0.0009550 | Pa×s | 288.12 | Calculated Property |
| η | 0.0007270 | Pa×s | 310.57 | Calculated Property |
| η | 0.0005742 | Pa×s | 333.03 | Calculated Property |
| η | 0.0004672 | Pa×s | 355.49 | Calculated Property |
| η | 0.0003896 | Pa×s | 377.95 | Calculated Property |
| η | 0.0003316 | Pa×s | 400.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 2-bromo-1-chloro-.
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