- InChI
- InChI=1S/C15H23BrO2/c1-12(2)8-9-14(11-13(3)4)18-15(17)7-5-6-10-16/h13-14H,1,5-7,10-11H2,2-4H3
- InChI Key
- WWHSZPVJDMJJRF-UHFFFAOYSA-N
- Formula
- C15H23BrO2
- SMILES
- C=C(C)C#CC(CC(C)C)OC(=O)CCCCBr
- Molecular Weight1
- 315.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | 133.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -194.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 234.250 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Inp | 1835.50 | NIST | |
| Tboil | 689.73 | K | Joback Calculated Property |
| Tc | 896.49 | K | Joback Calculated Property |
| Tfus | 451.15 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [605.62; 689.43] | J/mol×K | [689.73; 896.49] | 
|
| Cp,gas | 605.62 | J/mol×K | 689.73 | Joback Calculated Property |
| Cp,gas | 621.73 | J/mol×K | 724.19 | Joback Calculated Property |
| Cp,gas | 636.95 | J/mol×K | 758.65 | Joback Calculated Property |
| Cp,gas | 651.29 | J/mol×K | 793.11 | Joback Calculated Property |
| Cp,gas | 664.80 | J/mol×K | 827.57 | Joback Calculated Property |
| Cp,gas | 677.50 | J/mol×K | 862.03 | Joback Calculated Property |
| Cp,gas | 689.43 | J/mol×K | 896.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.
Sources
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