- InChI
- InChI=1S/C17H31BrO2/c1-2-3-4-5-6-7-8-9-13-16-20-17(19)14-11-10-12-15-18/h9,13H,2-8,10-12,14-16H2,1H3/b13-9+
- InChI Key
- FXIDHPHTLPRIER-UKTHLTGXSA-N
- Formula
- C17H31BrO2
- SMILES
- CCCCCCCCC=CCOC(=O)CCCCCBr
- Molecular Weight1
- 347.33
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.8727 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -629.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.792 | Crippen Calculated Property | |
| McVol | 271.030 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Inp | [2215.00; 2215.00] |
|
|
| Inp | 2215.00 | NIST | |
| Inp | 2215.00 | NIST | |
| Tboil | 603.36 | K | Relay (1.0) Calculated Property |
| Tc | 783.73 | K | Relay (1.0) Calculated Property |
| Tfus | 265.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.24; 850.99] | J/mol×K | [734.97; 918.46] |
|
| Cp,gas | 762.24 | J/mol×K | 734.97 | Joback Calculated Property |
| Cp,gas | 779.00 | J/mol×K | 765.55 | Joback Calculated Property |
| Cp,gas | 794.93 | J/mol×K | 796.13 | Joback Calculated Property |
| Cp,gas | 810.06 | J/mol×K | 826.72 | Joback Calculated Property |
| Cp,gas | 824.42 | J/mol×K | 857.30 | Joback Calculated Property |
| Cp,gas | 838.05 | J/mol×K | 887.88 | Joback Calculated Property |
| Cp,gas | 850.99 | J/mol×K | 918.46 | Joback Calculated Property |
| η | [0.0000780; 0.0012401] | Pa×s | [408.23; 734.97] |
|
| η | 0.0012401 | Pa×s | 408.23 | Joback Calculated Property |
| η | 0.0005961 | Pa×s | 462.69 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 517.14 | Joback Calculated Property |
| η | 0.0002094 | Pa×s | 571.60 | Joback Calculated Property |
| η | 0.0001423 | Pa×s | 626.06 | Joback Calculated Property |
| η | 0.0001028 | Pa×s | 680.51 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 734.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, undec-2-enyl ester.
Sources
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