- InChI
- InChI=1S/C7H11BrO2/c1-2-3-4-5-10-7(9)6-8/h2H,1,3-6H2
- InChI Key
- USDMNMTWYGUAAS-UHFFFAOYSA-N
- Formula
- C7H11BrO2
- SMILES
- C=CCCCOC(=O)CBr
- Molecular Weight1
- 207.06
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -372.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.891 | Crippen Calculated Property | |
| McVol | 130.130 | ml/mol | McGowan Calculated Property |
| Inp | 1146.00 | NIST | |
| I | [1700.00; 1700.00] |
|
|
| I | 1700.00 | NIST | |
| I | 1700.00 | NIST | |
| Tboil | 483.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.04; 311.51] | J/mol×K | [480.82; 673.82] |
|
| Cp,gas | 256.04 | J/mol×K | 480.82 | Joback Calculated Property |
| Cp,gas | 266.55 | J/mol×K | 512.99 | Joback Calculated Property |
| Cp,gas | 276.55 | J/mol×K | 545.15 | Joback Calculated Property |
| Cp,gas | 286.02 | J/mol×K | 577.32 | Joback Calculated Property |
| Cp,gas | 295.00 | J/mol×K | 609.49 | Joback Calculated Property |
| Cp,gas | 303.50 | J/mol×K | 641.65 | Joback Calculated Property |
| Cp,gas | 311.51 | J/mol×K | 673.82 | Joback Calculated Property |
| η | [0.0002841; 0.0037693] | Pa×s | [269.02; 480.82] |
|
| η | 0.0037693 | Pa×s | 269.02 | Joback Calculated Property |
| η | 0.0019081 | Pa×s | 304.32 | Joback Calculated Property |
| η | 0.0011127 | Pa×s | 339.62 | Joback Calculated Property |
| η | 0.0007183 | Pa×s | 374.92 | Joback Calculated Property |
| η | 0.0004999 | Pa×s | 410.22 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 445.52 | Joback Calculated Property |
| η | 0.0002841 | Pa×s | 480.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-1-ol, bromoacetate.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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