- 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° | 24.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.98 | 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 | 236.35 | 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 | [347.10; 422.76] | J/mol×K | [540.91; 746.27] | 
|
| Cp,gas | 347.10 | J/mol×K | 540.91 | Joback Calculated Property |
| Cp,gas | 361.77 | J/mol×K | 575.14 | Joback Calculated Property |
| Cp,gas | 375.57 | J/mol×K | 609.36 | Joback Calculated Property |
| Cp,gas | 388.53 | J/mol×K | 643.59 | Joback Calculated Property |
| Cp,gas | 400.70 | J/mol×K | 677.82 | Joback Calculated Property |
| Cp,gas | 412.09 | J/mol×K | 712.05 | Joback Calculated Property |
| Cp,gas | 422.76 | J/mol×K | 746.27 | Joback Calculated Property |
| η | [0.0003872; 0.0033012] | Pa×s | [307.74; 540.91] |
|
| η | 0.0033012 | Pa×s | 307.74 | Joback Calculated Property |
| η | 0.0018906 | Pa×s | 346.60 | Joback Calculated Property |
| η | 0.0012115 | Pa×s | 385.46 | Joback Calculated Property |
| η | 0.0008423 | Pa×s | 424.33 | Joback Calculated Property |
| η | 0.0006224 | Pa×s | 463.19 | Joback Calculated Property |
| η | 0.0004820 | Pa×s | 502.05 | Joback Calculated Property |
| η | 0.0003872 | Pa×s | 540.91 | 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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