- 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.
- Ip : 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 | |
| Ip | [989.00; 1009.00] |
|
|
| Ip | 997.00 | NIST | |
| Ip | 997.00 | NIST | |
| Ip | Outlier 1009.00 | NIST | |
| Ip | 989.00 | NIST | |
| Ip | 994.00 | NIST | |
| Ip | 994.00 | NIST | |
| Tboil | 391.80 | K | NIST |
| Tc | 586.21 | K | Relay (1.0) Calculated Property |
| Tfus | 147.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| 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 |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [125.22; 286.89] | 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 | 4.85200e+00 | |||
| Coefficient B | 5.22940e-01 | |||
| Coefficient C | -3.22800e-04 | |||
| Coefficient D | 8.19000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 125.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 199.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 219.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 236.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 251.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 264.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 276.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 286.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0345673; 0.0003033] | Pa×s | [147.05; 398.39] |
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 | -1.08714e+01 | |||
| Coefficient B | 1.10384e+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. | 147.05 | |||
| Temperature range, max. | 398.39 | |||
| η | 0.0345673 | Pa×s | 147.05 | Calculated Property |
| η | 0.0104316 | Pa×s | 174.98 | Calculated Property |
| η | 0.0043779 | Pa×s | 202.90 | Calculated Property |
| η | 0.0022668 | Pa×s | 230.83 | Calculated Property |
| η | 0.0013529 | Pa×s | 258.76 | Calculated Property |
| η | 0.0008929 | Pa×s | 286.68 | Calculated Property |
| η | 0.0006344 | Pa×s | 314.61 | Calculated Property |
| η | 0.0004766 | Pa×s | 342.54 | Calculated Property |
| η | 0.0003738 | Pa×s | 370.47 | Calculated Property |
| η | 0.0003033 | Pa×s | 398.39 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [286.76; 417.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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