- InChI
- InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
- InChI Key
- IOZOJWNUKLCDML-UHFFFAOYSA-N
- Formula
- C6H13Br
- SMILES
- CCCC(Br)CC
- Molecular Weight1
- 165.07
- CAS
- 3377-87-5
- Other Names
-
- 3-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).
- 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 | 0.3778 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.21 | 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 | [943.00; 953.00] |
|
|
| Inp | 943.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 953.00 | NIST | |
| Inp | 943.00 | NIST | |
| I | [1059.00; 1073.00] |
|
|
| I | 1073.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1069.00 | NIST | |
| Tboil | [415.00; 415.00] | K |
|
| Tboil | 415.00 | K | NIST |
| Tboil | 415.00 ± 2.00 | K | NIST |
| Tc | 599.60 | K | Relay (1.0) Calculated Property |
| Tfus | 168.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [311.56; 439.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53025e+01 | |||
| Coefficient B | -3.83170e+03 | |||
| Coefficient C | -5.63670e+01 | |||
| Temperature range, min. | 311.56 | |||
| Temperature range, max. | 439.88 | |||
| Pvap | 1.33 | kPa | 311.56 | Calculated Property |
| Pvap | 2.95 | kPa | 325.82 | Calculated Property |
| Pvap | 6.03 | kPa | 340.08 | Calculated Property |
| Pvap | 11.51 | kPa | 354.33 | Calculated Property |
| Pvap | 20.70 | kPa | 368.59 | Calculated Property |
| Pvap | 35.38 | kPa | 382.85 | Calculated Property |
| Pvap | 57.82 | kPa | 397.11 | Calculated Property |
| Pvap | 90.82 | kPa | 411.36 | Calculated Property |
| Pvap | 137.78 | kPa | 425.62 | Calculated Property |
| Pvap | 202.65 | kPa | 439.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 3-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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