- InChI
- InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
- InChI Key
- OKRUMSWHDWKGHA-UHFFFAOYSA-N
- Formula
- C5H8BrClO
- SMILES
- O=C(Cl)CCCCBr
- Molecular Weight1
- 199.47
- CAS
- 4509-90-4
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -270.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.317 | Crippen Calculated Property | |
| McVol | 112.620 | ml/mol | McGowan Calculated Property |
| Tboil | 480.99 | K | Relay (1.0) Calculated Property |
| Tfus | 260.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.87; 283.64] | 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 | 2.67840e+01 | |||
| Coefficient B | 4.95800e-01 | |||
| Coefficient C | -3.21300e-04 | |||
| Coefficient D | 8.23600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 188.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 240.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 283.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033035; 0.0004231] | Pa×s | [285.76; 473.01] |
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 | -1.09043e+01 | |||
| Coefficient B | 1.48353e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 285.76 | |||
| Temperature range, max. | 473.01 | |||
| η | 0.0033035 | Pa×s | 285.76 | Calculated Property |
| η | 0.0023225 | Pa×s | 306.57 | Calculated Property |
| η | 0.0017076 | Pa×s | 327.37 | Calculated Property |
| η | 0.0013025 | Pa×s | 348.18 | Calculated Property |
| η | 0.0010244 | Pa×s | 368.98 | Calculated Property |
| η | 0.0008265 | Pa×s | 389.79 | Calculated Property |
| η | 0.0006815 | Pa×s | 410.59 | Calculated Property |
| η | 0.0005726 | Pa×s | 431.40 | Calculated Property |
| η | 0.0004888 | Pa×s | 452.20 | Calculated Property |
| η | 0.0004231 | Pa×s | 473.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromopentanoyl chloride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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