- InChI
- InChI=1S/C9H15BrO2/c10-7-2-1-6-9(11)12-8-4-3-5-8/h8H,1-7H2
- InChI Key
- GWVUWXKSZDXMHL-UHFFFAOYSA-N
- Formula
- C9H15BrO2
- SMILES
- O=C(CCCCBr)OC1CCC1
- Molecular Weight1
- 235.12
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -492.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.77 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.647 | Crippen Calculated Property | |
| McVol | 151.750 | ml/mol | McGowan Calculated Property |
| Inp | 1438.00 | NIST | |
| Tfus | 241.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [351.76; 425.92] | J/mol×K | [558.78; 766.68] | 
|
| Cp,gas | 351.76 | J/mol×K | 558.78 | Joback Calculated Property |
| Cp,gas | 366.05 | J/mol×K | 593.43 | Joback Calculated Property |
| Cp,gas | 379.52 | J/mol×K | 628.08 | Joback Calculated Property |
| Cp,gas | 392.21 | J/mol×K | 662.73 | Joback Calculated Property |
| Cp,gas | 404.15 | J/mol×K | 697.38 | Joback Calculated Property |
| Cp,gas | 415.37 | J/mol×K | 732.03 | Joback Calculated Property |
| Cp,gas | 425.92 | J/mol×K | 766.68 | Joback Calculated Property |
| η | [0.0004285; 0.0025130] | Pa×s | [337.57; 558.78] |
|
| η | 0.0025130 | Pa×s | 337.57 | Joback Calculated Property |
| η | 0.0016185 | Pa×s | 374.44 | Joback Calculated Property |
| η | 0.0011279 | Pa×s | 411.31 | Joback Calculated Property |
| η | 0.0008342 | Pa×s | 448.17 | Joback Calculated Property |
| η | 0.0006459 | Pa×s | 485.04 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 521.91 | Joback Calculated Property |
| η | 0.0004285 | Pa×s | 558.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, cyclobutyl ester.
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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