- InChI
- InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3
- InChI Key
- NEBYCXAKZCQWAW-UHFFFAOYSA-N
- Formula
- C6H13Br
- SMILES
- CCCCC(C)Br
- Molecular Weight1
- 165.07
- CAS
- 3377-86-4
- Other Names
-
- (dl) 2-bromohexane
- 2-Bromohexane
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.3926 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.960 | Crippen Calculated Property | |
| McVol | 112.900 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [934.00; 952.00] |
|
|
| Inp | 941.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 934.00 | NIST | |
| I | [1069.00; 1091.00] |
|
|
| I | 1077.00 | NIST | |
| I | 1091.00 | NIST | |
| I | 1069.00 | NIST | |
| Tboil | 417.12 | K | Relay (1.0) Calculated Property |
| Tc | 599.90 | K | Relay (1.0) Calculated Property |
| Tfus | 182.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.64; 256.62] | J/mol×K | [402.40; 590.50] |
|
| Cp,gas | 197.64 | J/mol×K | 402.40 | Joback Calculated Property |
| Cp,gas | 208.66 | J/mol×K | 433.75 | Joback Calculated Property |
| Cp,gas | 219.19 | J/mol×K | 465.10 | Joback Calculated Property |
| Cp,gas | 229.23 | J/mol×K | 496.45 | Joback Calculated Property |
| Cp,gas | 238.81 | J/mol×K | 527.80 | Joback Calculated Property |
| Cp,gas | 247.93 | J/mol×K | 559.15 | Joback Calculated Property |
| Cp,gas | 256.62 | J/mol×K | 590.50 | Joback Calculated Property |
| η | [0.0003340; 0.0063698] | Pa×s | [202.18; 402.40] |
|
| η | 0.0063698 | Pa×s | 202.18 | Joback Calculated Property |
| η | 0.0027514 | Pa×s | 235.55 | Joback Calculated Property |
| η | 0.0014638 | Pa×s | 268.92 | Joback Calculated Property |
| η | 0.0008951 | Pa×s | 302.29 | Joback Calculated Property |
| η | 0.0006036 | Pa×s | 335.66 | Joback Calculated Property |
| η | 0.0004371 | Pa×s | 369.03 | Joback Calculated Property |
| η | 0.0003340 | Pa×s | 402.40 | Joback Calculated Property |
| ΔvapH | 43.80 | kJ/mol | 359.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [313.64; 446.33] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50246e+01 | |||
| Coefficient B | -3.78078e+03 | |||
| Coefficient C | -5.70900e+01 | |||
| Temperature range, min. | 313.64 | |||
| Temperature range, max. | 446.33 | |||
| Pvap | 1.33 | kPa | 313.64 | Calculated Property |
| Pvap | 2.97 | kPa | 328.38 | Calculated Property |
| Pvap | 6.09 | kPa | 343.13 | Calculated Property |
| Pvap | 11.64 | kPa | 357.87 | Calculated Property |
| Pvap | 20.95 | kPa | 372.61 | Calculated Property |
| Pvap | 35.76 | kPa | 387.36 | Calculated Property |
| Pvap | 58.33 | kPa | 402.10 | Calculated Property |
| Pvap | 91.40 | kPa | 416.84 | Calculated Property |
| Pvap | 138.24 | kPa | 431.59 | Calculated Property |
| Pvap | 202.63 | kPa | 446.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 2-bromo-.
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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