- InChI
- InChI=1S/C11H15BrO2/c1-2-3-7-10-14-11(13)8-5-4-6-9-12/h1,3,7H,4-6,8-10H2
- InChI Key
- SUHVFHMCZHPIPE-UHFFFAOYSA-N
- Formula
- C11H15BrO2
- SMILES
- C#CC=CCOC(=O)CCCCCBr
- Molecular Weight1
- 259.14
- 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 | 0.5999 | Relay (1.0) Calculated Property | |
| ΔfG° | 125.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.674 | Crippen Calculated Property | |
| McVol | 177.890 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Inp | 1634.00 | NIST | |
| Tboil | 544.57 | K | Relay (1.0) Calculated Property |
| Tc | 735.33 | K | Relay (1.0) Calculated Property |
| Tfus | 317.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.13; 466.77] | J/mol×K | [587.81; 790.45] | 
|
| Cp,gas | 401.13 | J/mol×K | 587.81 | Joback Calculated Property |
| Cp,gas | 413.69 | J/mol×K | 621.58 | Joback Calculated Property |
| Cp,gas | 425.56 | J/mol×K | 655.36 | Joback Calculated Property |
| Cp,gas | 436.76 | J/mol×K | 689.13 | Joback Calculated Property |
| Cp,gas | 447.34 | J/mol×K | 722.91 | Joback Calculated Property |
| Cp,gas | 457.33 | J/mol×K | 756.68 | Joback Calculated Property |
| Cp,gas | 466.77 | J/mol×K | 790.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, pent-2-en-4-ynyl ester.
Sources
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