- InChI
- InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
- InChI Key
- VTOQFOCYBTVOJZ-UHFFFAOYSA-N
- Formula
- C5H11Br
- SMILES
- CCC(Br)CC
- Molecular Weight1
- 151.05
- CAS
- 1809-10-5
- Other Names
-
- 3-Bromopentane
- 3-Pentyl bromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.3456 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -122.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.570 | Crippen Calculated Property | |
| McVol | 98.810 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [851.00; 853.00] |
|
|
| Inp | 851.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 852.00 | NIST | |
| I | [989.00; 1009.00] |
|
|
| I | 997.00 | NIST | |
| I | 997.00 | NIST | |
| I | Outlier 1009.00 | NIST | |
| I | 989.00 | NIST | |
| I | 994.00 | NIST | |
| I | 994.00 | NIST | |
| Tboil | 391.80 | K | NIST |
| Tc | 586.21 | K | Relay (1.0) Calculated Property |
| Tfus | 169.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.364 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.36; 213.01] | J/mol×K | [379.72; 569.13] |
|
| Cp,gas | 161.36 | J/mol×K | 379.72 | Joback Calculated Property |
| Cp,gas | 171.02 | J/mol×K | 411.29 | Joback Calculated Property |
| Cp,gas | 180.24 | J/mol×K | 442.86 | Joback Calculated Property |
| Cp,gas | 189.04 | J/mol×K | 474.43 | Joback Calculated Property |
| Cp,gas | 197.42 | J/mol×K | 505.99 | Joback Calculated Property |
| Cp,gas | 205.41 | J/mol×K | 537.56 | Joback Calculated Property |
| Cp,gas | 213.01 | J/mol×K | 569.13 | Joback Calculated Property |
| η | [0.0003476; 0.0061616] | Pa×s | [190.91; 379.72] |
|
| η | 0.0061616 | Pa×s | 190.91 | Joback Calculated Property |
| η | 0.0027187 | Pa×s | 222.38 | Joback Calculated Property |
| η | 0.0014693 | Pa×s | 253.85 | Joback Calculated Property |
| η | 0.0009095 | Pa×s | 285.31 | Joback Calculated Property |
| η | 0.0006193 | Pa×s | 316.78 | Joback Calculated Property |
| η | 0.0004520 | Pa×s | 348.25 | Joback Calculated Property |
| η | 0.0003476 | Pa×s | 379.72 | Joback Calculated Property |
| ΔfusH | [8.40; 8.40] | kJ/mol | [167.30; 167.30] |
|
| ΔfusH | 8.40 | kJ/mol | 167.30 | NIST |
| ΔfusH | 8.40 | kJ/mol | 167.30 | NIST |
| ΔvapH | 37.70 | kJ/mol | 369.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [286.76; 417.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47451e+01 | |||
| Coefficient B | -3.55117e+03 | |||
| Coefficient C | -4.11270e+01 | |||
| Temperature range, min. | 286.76 | |||
| Temperature range, max. | 417.57 | |||
| Pvap | 1.33 | kPa | 286.76 | Calculated Property |
| Pvap | 2.99 | kPa | 301.29 | Calculated Property |
| Pvap | 6.16 | kPa | 315.83 | Calculated Property |
| Pvap | 11.79 | kPa | 330.36 | Calculated Property |
| Pvap | 21.22 | kPa | 344.90 | Calculated Property |
| Pvap | 36.18 | kPa | 359.43 | Calculated Property |
| Pvap | 58.90 | kPa | 373.97 | Calculated Property |
| Pvap | 92.04 | kPa | 388.50 | Calculated Property |
| Pvap | 138.76 | kPa | 403.04 | Calculated Property |
| Pvap | 202.67 | kPa | 417.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentane, 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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