- InChI
- InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
- InChI Key
- MFESCIUQSIBMSM-UHFFFAOYSA-N
- Formula
- C3H6BrCl
- SMILES
- ClCCCBr
- Molecular Weight1
- 157.44
- CAS
- 109-70-6
- Other Names
-
- 1,3-Chbp
- 1-Bromo-3-chloropropane
- 1-Chloro-3-bromopropane
- 3-Bromo-1-chloropropane
- 3-Bromopropyl chloride
- 3-Chloro-1-bromopropane
- 3-Chloropropyl bromide
- NSC 9183
- Trimethylene bromide chloride
- Trimethylene chlorobromide
- UN 2688
- «omega»-Chlorobromopropane
- «omega»-Chlorobromopropane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -23.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.04; 44.06] | kJ/mol |
|
| ΔvapH° | 44.06 | kJ/mol | NIST |
| ΔvapH° | 44.04 ± 0.10 | kJ/mol | NIST |
| log10WS | -1.85 | Aq. Sol... | |
| logPoct/wat | 2.010 | Crippen Calculated Property | |
| McVol | 82.870 | ml/mol | McGowan Calculated Property |
| Pc | 4602.62 | kPa | Joback Calculated Property |
| Inp | [830.00; 869.50] |
|
|
| Inp | 869.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 841.00 | NIST | |
| Inp | 869.50 | NIST | |
| Inp | 849.20 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 869.00 | NIST | |
| Tboil | [415.50; 417.50] | K |
|
| Tboil | 417.50 ± 0.50 | K | NIST |
| Tboil | 416.50 | K | NIST |
| Tboil | 416.00 | K | NIST |
| Tboil | 416.50 | K | NIST |
| Tboil | 415.50 ± 0.50 | K | NIST |
| Tboil | 417.00 ± 4.00 | K | NIST |
| Tc | 567.20 | K | Joback Calculated Property |
| Tfus | [214.20; 214.30] | K |
|
| Tfus | 214.20 | K | Aq. Sol... |
| Tfus | 214.30 ± 0.02 | K | NIST |
| Vc | 0.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.83; 148.53] | J/mol×K | [371.63; 567.20] |
|
| Cp,gas | 116.83 | J/mol×K | 371.63 | Joback Calculated Property |
| Cp,gas | 122.86 | J/mol×K | 404.22 | Joback Calculated Property |
| Cp,gas | 128.57 | J/mol×K | 436.82 | Joback Calculated Property |
| Cp,gas | 133.98 | J/mol×K | 469.41 | Joback Calculated Property |
| Cp,gas | 139.10 | J/mol×K | 502.01 | Joback Calculated Property |
| Cp,gas | 143.95 | J/mol×K | 534.60 | Joback Calculated Property |
| Cp,gas | 148.53 | J/mol×K | 567.20 | Joback Calculated Property |
| Cp,liquid | [162.24; 171.51] | J/mol×K | [285.15; 355.15] |
|
| Cp,liquid | 162.24 | J/mol×K | 285.15 | Heat Ca... |
| Cp,liquid | 162.41 | J/mol×K | 286.65 | Heat Ca... |
| Cp,liquid | 162.57 | J/mol×K | 288.15 | Heat Ca... |
| Cp,liquid | 162.74 | J/mol×K | 289.65 | Heat Ca... |
| Cp,liquid | 162.92 | J/mol×K | 291.15 | Heat Ca... |
| Cp,liquid | 163.09 | J/mol×K | 292.65 | Heat Ca... |
| Cp,liquid | 163.26 | J/mol×K | 294.15 | Heat Ca... |
| Cp,liquid | 163.44 | J/mol×K | 295.65 | Heat Ca... |
| Cp,liquid | 163.62 | J/mol×K | 297.15 | Heat Ca... |
| Cp,liquid | 163.73 | J/mol×K | 298.15 | Heat Ca... |
| Cp,liquid | 163.79 | J/mol×K | 298.65 | Heat Ca... |
| Cp,liquid | 163.97 | J/mol×K | 300.15 | Heat Ca... |
| Cp,liquid | 164.15 | J/mol×K | 301.65 | Heat Ca... |
| Cp,liquid | 164.34 | J/mol×K | 303.15 | Heat Ca... |
| Cp,liquid | 164.52 | J/mol×K | 304.65 | Heat Ca... |
| Cp,liquid | 164.71 | J/mol×K | 306.15 | Heat Ca... |
| Cp,liquid | 164.89 | J/mol×K | 307.65 | Heat Ca... |
| Cp,liquid | 165.08 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 165.27 | J/mol×K | 310.65 | Heat Ca... |
| Cp,liquid | 165.46 | J/mol×K | 312.15 | Heat Ca... |
| Cp,liquid | 165.65 | J/mol×K | 313.65 | Heat Ca... |
| Cp,liquid | 165.85 | J/mol×K | 315.15 | Heat Ca... |
| Cp,liquid | 166.04 | J/mol×K | 316.65 | Heat Ca... |
| Cp,liquid | 166.24 | J/mol×K | 318.15 | Heat Ca... |
| Cp,liquid | 166.43 | J/mol×K | 319.65 | Heat Ca... |
| Cp,liquid | 166.63 | J/mol×K | 321.15 | Heat Ca... |
| Cp,liquid | 166.83 | J/mol×K | 322.65 | Heat Ca... |
| Cp,liquid | 167.04 | J/mol×K | 324.15 | Heat Ca... |
| Cp,liquid | 167.24 | J/mol×K | 325.65 | Heat Ca... |
| Cp,liquid | 167.44 | J/mol×K | 327.15 | Heat Ca... |
| Cp,liquid | 167.65 | J/mol×K | 328.65 | Heat Ca... |
| Cp,liquid | 167.86 | J/mol×K | 330.15 | Heat Ca... |
| Cp,liquid | 168.06 | J/mol×K | 331.65 | Heat Ca... |
| Cp,liquid | 168.27 | J/mol×K | 333.15 | Heat Ca... |
| Cp,liquid | 168.49 | J/mol×K | 334.65 | Heat Ca... |
| Cp,liquid | 168.70 | J/mol×K | 336.15 | Heat Ca... |
| Cp,liquid | 168.91 | J/mol×K | 337.65 | Heat Ca... |
| Cp,liquid | 169.13 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 169.35 | J/mol×K | 340.65 | Heat Ca... |
| Cp,liquid | 169.56 | J/mol×K | 342.15 | Heat Ca... |
| Cp,liquid | 169.78 | J/mol×K | 343.65 | Heat Ca... |
| Cp,liquid | 170.00 | J/mol×K | 345.15 | Heat Ca... |
| Cp,liquid | 170.23 | J/mol×K | 346.65 | Heat Ca... |
| Cp,liquid | 170.45 | J/mol×K | 348.15 | Heat Ca... |
| Cp,liquid | 170.68 | J/mol×K | 349.65 | Heat Ca... |
| Cp,liquid | 170.90 | J/mol×K | 351.15 | Heat Ca... |
| Cp,liquid | 171.13 | J/mol×K | 352.65 | Heat Ca... |
| Cp,liquid | 171.36 | J/mol×K | 354.15 | Heat Ca... |
| Cp,liquid | 171.51 | J/mol×K | 355.15 | Heat Ca... |
| η | [0.0004225; 0.0034352] | Pa×s | [213.29; 371.63] |
|
| η | 0.0034352 | Pa×s | 213.29 | Joback Calculated Property |
| η | 0.0019988 | Pa×s | 239.68 | Joback Calculated Property |
| η | 0.0012949 | Pa×s | 266.07 | Joback Calculated Property |
| η | 0.0009073 | Pa×s | 292.46 | Joback Calculated Property |
| η | 0.0006742 | Pa×s | 318.85 | Joback Calculated Property |
| η | 0.0005243 | Pa×s | 345.24 | Joback Calculated Property |
| η | 0.0004225 | Pa×s | 371.63 | Joback Calculated Property |
| ΔvapH | [37.55; 42.00] | kJ/mol | [407.00; 416.50] |
|
| ΔvapH | 42.00 | kJ/mol | 407.00 | NIST |
| ΔvapH | 37.55 | kJ/mol | 416.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 205.55] | kPa | [306.12; 443.91] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44017e+01 | |||
| Coefficient B | -3.50342e+03 | |||
| Coefficient C | -5.79010e+01 | |||
| Temperature range, min. | 306.12 | |||
| Temperature range, max. | 443.91 | |||
| Pvap | 1.33 | kPa | 306.12 | Calculated Property |
| Pvap | 3.03 | kPa | 321.43 | Calculated Property |
| Pvap | 6.28 | kPa | 336.74 | Calculated Property |
| Pvap | 12.08 | kPa | 352.05 | Calculated Property |
| Pvap | 21.77 | kPa | 367.36 | Calculated Property |
| Pvap | 37.13 | kPa | 382.67 | Calculated Property |
| Pvap | 60.34 | kPa | 397.98 | Calculated Property |
| Pvap | 94.04 | kPa | 413.29 | Calculated Property |
| Pvap | 141.30 | kPa | 428.60 | Calculated Property |
| Pvap | 205.55 | kPa | 443.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-bromo-3-chloro-.
Sources
- Crippen Method
- Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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