- InChI
- InChI=1S/C15H23BrO2/c1-5-7-13(4)14(10-9-12(2)3)18-15(17)8-6-11-16/h13-14H,2,5-8,11H2,1,3-4H3
- InChI Key
- CHLWIZVUJPTXCY-UHFFFAOYSA-N
- Formula
- C15H23BrO2
- SMILES
- C=C(C)C#CC(OC(=O)CCCBr)C(C)CCC
- Molecular Weight1
- 315.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6432 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) 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 | [1771.00; 1771.00] |
|
|
| Inp | 1771.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Tboil | 556.47 | K | Relay (1.0) Calculated Property |
| Tc | 747.13 | K | Relay (1.0) Calculated Property |
| Tfus | 258.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.796 | m3/kmol | Relay (1.0) 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 4-Bromobutanoic acid, 2,6-dimethylnon-1-en-3--yn-5-yl ester.
Sources
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