- InChI
- InChI=1S/C11H17BrO2/c1-3-7-10(4-2)14-11(13)8-5-6-9-12/h10H,4-6,8-9H2,1-2H3
- InChI Key
- LELREPSXQGXCNR-UHFFFAOYSA-N
- Formula
- C11H17BrO2
- SMILES
- CC#CC(CC)OC(=O)CCCCBr
- Molecular Weight1
- 261.15
- 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° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 2.897 | Crippen Calculated Property | |
| McVol | 182.190 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | 1601.80 | NIST | |
| Tboil | 602.09 | K | Joback Calculated Property |
| Tc | 810.13 | K | Joback Calculated Property |
| Tfus | 436.79 | K | Joback Calculated Property |
| Vc | 0.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.77; 495.91] | J/mol×K | [602.09; 810.13] | 
|
| Cp,gas | 422.77 | J/mol×K | 602.09 | Joback Calculated Property |
| Cp,gas | 436.69 | J/mol×K | 636.76 | Joback Calculated Property |
| Cp,gas | 449.89 | J/mol×K | 671.44 | Joback Calculated Property |
| Cp,gas | 462.40 | J/mol×K | 706.11 | Joback Calculated Property |
| Cp,gas | 474.22 | J/mol×K | 740.78 | Joback Calculated Property |
| Cp,gas | 485.39 | J/mol×K | 775.46 | Joback Calculated Property |
| Cp,gas | 495.91 | J/mol×K | 810.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, hex-4-yn-3-yl ester.
Sources
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