- 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° | 44.50 | 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 | 604.05 | K | Relay (1.0) Calculated Property |
| Tfus | 184.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.44; 338.48] | 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 | 3.94300e+00 | |||
| Coefficient B | 6.17940e-01 | |||
| Coefficient C | -3.77200e-04 | |||
| Coefficient D | 9.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 258.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 278.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 296.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 312.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 326.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 338.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0063698; 0.0003082] | Pa×s | [202.18; 413.56] |
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 | -1.09816e+01 | |||
| Coefficient B | 1.19800e+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. | 202.18 | |||
| Temperature range, max. | 413.56 | |||
| η | 0.0063698 | Pa×s | 202.18 | Calculated Property |
| η | 0.0034379 | Pa×s | 225.67 | Calculated Property |
| η | 0.0020843 | Pa×s | 249.15 | Calculated Property |
| η | 0.0013775 | Pa×s | 272.64 | Calculated Property |
| η | 0.0009721 | Pa×s | 296.12 | Calculated Property |
| η | 0.0007221 | Pa×s | 319.61 | Calculated Property |
| η | 0.0005587 | Pa×s | 343.10 | Calculated Property |
| η | 0.0004467 | Pa×s | 366.58 | Calculated Property |
| η | 0.0003669 | Pa×s | 390.07 | Calculated Property |
| η | 0.0003082 | Pa×s | 413.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [313.16; 441.58] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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