- InChI
- InChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3
- InChI Key
- KKGUMGWNFARLSL-UHFFFAOYSA-N
- Formula
- C6H13Br
- SMILES
- CCC(CC)CBr
- Molecular Weight1
- 165.07
- CAS
- 3814-34-4
- Other Names
-
- 1-Bromo-2-ethylbutane
- 2-Ethylbutyl bromide
- 3-(Bromomethyl)pentane
- Butane, 1-bromo-2-ethyl-
- 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).
- 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 | 0.3811 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.817 | Crippen Calculated Property | |
| McVol | 112.900 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 416.70 | K | NIST |
| Tc | 597.80 | K | Relay (1.0) Calculated Property |
| Tfus | 190.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.394 | 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; 202.67] | kPa | [313.16; 441.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53359e+01 | |||
| Coefficient B | -3.85592e+03 | |||
| Coefficient C | -5.69230e+01 | |||
| Temperature range, min. | 313.16 | |||
| Temperature range, max. | 441.58 | |||
| Pvap | 1.33 | kPa | 313.16 | Calculated Property |
| Pvap | 2.95 | kPa | 327.43 | Calculated Property |
| Pvap | 6.02 | kPa | 341.70 | Calculated Property |
| Pvap | 11.49 | kPa | 355.97 | Calculated Property |
| Pvap | 20.67 | kPa | 370.24 | Calculated Property |
| Pvap | 35.34 | kPa | 384.50 | Calculated Property |
| Pvap | 57.76 | kPa | 398.77 | Calculated Property |
| Pvap | 90.76 | kPa | 413.04 | Calculated Property |
| Pvap | 137.74 | kPa | 427.31 | Calculated Property |
| Pvap | 202.67 | kPa | 441.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 3-(bromomethyl)-.
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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