- InChI
- InChI=1S/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3
- InChI Key
- IUXIOXCOPJFKMQ-UHFFFAOYSA-N
- Formula
- C6H13Br
- SMILES
- CC(C)CC(C)Br
- Molecular Weight1
- 165.07
- CAS
- 30310-22-6
- Other Names
-
- 2-Bromo-4-methylpentane
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 9.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -151.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen Calculated Property | |
| logPoct/wat | 2.816 | Crippen Calculated Property | |
| McVol | 112.900 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Inp | [917.00; 950.00] |
|
|
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 940.00 | NIST | |
| I | [1003.00; 1037.00] |
|
|
| I | 1037.00 | NIST | |
| I | 1037.00 | NIST | |
| I | 1003.00 | NIST | |
| Tboil | 404.50 ± 1.50 | K | NIST |
| Tc | 594.59 | K | Joback Calculated Property |
| Tfus | [178.60; 179.15] | K |
|
| Tfus | 179.15 ± 1.50 | K | NIST |
| Tfus | 178.60 ± 1.50 | K | NIST |
| Vc | 0.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.63; 258.33] | J/mol×K | [401.96; 594.59] |
|
| Cp,gas | 197.63 | J/mol×K | 401.96 | Joback Calculated Property |
| Cp,gas | 209.01 | J/mol×K | 434.06 | Joback Calculated Property |
| Cp,gas | 219.87 | J/mol×K | 466.17 | Joback Calculated Property |
| Cp,gas | 230.21 | J/mol×K | 498.27 | Joback Calculated Property |
| Cp,gas | 240.06 | J/mol×K | 530.38 | Joback Calculated Property |
| Cp,gas | 249.42 | J/mol×K | 562.48 | Joback Calculated Property |
| Cp,gas | 258.33 | J/mol×K | 594.59 | Joback Calculated Property |
| η | [0.0003219; 0.0109622] | Pa×s | [187.18; 401.96] |
|
| η | 0.0109622 | Pa×s | 187.18 | Joback Calculated Property |
| η | 0.0037982 | Pa×s | 222.98 | Joback Calculated Property |
| η | 0.0017644 | Pa×s | 258.77 | Joback Calculated Property |
| η | 0.0009876 | Pa×s | 294.57 | Joback Calculated Property |
| η | 0.0006268 | Pa×s | 330.37 | Joback Calculated Property |
| η | 0.0004348 | Pa×s | 366.16 | Joback Calculated Property |
| η | 0.0003219 | Pa×s | 401.96 | Joback Calculated Property |
| ΔvapH | 29.30 | kJ/mol | 381.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [303.32; 428.83] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53110e+01 | |||
| Coefficient B | -3.75310e+03 | |||
| Coefficient C | -5.35040e+01 | |||
| Temperature range, min. | 303.32 | |||
| Temperature range, max. | 428.83 | |||
| Pvap | 1.33 | kPa | 303.32 | Calculated Property |
| Pvap | 2.95 | kPa | 317.27 | Calculated Property |
| Pvap | 6.03 | kPa | 331.21 | Calculated Property |
| Pvap | 11.50 | kPa | 345.16 | Calculated Property |
| Pvap | 20.69 | kPa | 359.10 | Calculated Property |
| Pvap | 35.37 | kPa | 373.05 | Calculated Property |
| Pvap | 57.80 | kPa | 386.99 | Calculated Property |
| Pvap | 90.81 | kPa | 400.94 | Calculated Property |
| Pvap | 137.77 | kPa | 414.88 | Calculated Property |
| Pvap | 202.65 | kPa | 428.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 2-bromo-4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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