- InChI
- InChI=1S/C15H27BrO2/c1-2-3-4-5-6-7-8-9-10-14-18-15(17)12-11-13-16/h9-10H,2-8,11-14H2,1H3/b10-9+
- InChI Key
- QBCPDDNDBOJMNN-MDZDMXLPSA-N
- Formula
- C15H27BrO2
- SMILES
- CCCCCCCCC=CCOC(=O)CCCBr
- Molecular Weight1
- 319.28
- 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 | 0.8043 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.011 | Crippen Calculated Property | |
| McVol | 242.850 | ml/mol | McGowan Calculated Property |
| Pc | 1611.58 | kPa | Joback Calculated Property |
| Inp | [2001.00; 2001.00] |
|
|
| Inp | 2001.00 | NIST | |
| Inp | 2001.00 | NIST | |
| Tboil | 588.82 | K | Relay (1.0) Calculated Property |
| Tc | 764.68 | K | Relay (1.0) Calculated Property |
| Tfus | 249.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.27; 734.72] | J/mol×K | [689.21; 873.47] |
|
| Cp,gas | 650.27 | J/mol×K | 689.21 | Joback Calculated Property |
| Cp,gas | 666.21 | J/mol×K | 719.92 | Joback Calculated Property |
| Cp,gas | 681.36 | J/mol×K | 750.63 | Joback Calculated Property |
| Cp,gas | 695.76 | J/mol×K | 781.34 | Joback Calculated Property |
| Cp,gas | 709.43 | J/mol×K | 812.05 | Joback Calculated Property |
| Cp,gas | 722.41 | J/mol×K | 842.76 | Joback Calculated Property |
| Cp,gas | 734.72 | J/mol×K | 873.47 | Joback Calculated Property |
| η | [0.0001021; 0.0014983] | Pa×s | [385.69; 689.21] |
|
| η | 0.0014983 | Pa×s | 385.69 | Joback Calculated Property |
| η | 0.0007388 | Pa×s | 436.28 | Joback Calculated Property |
| η | 0.0004219 | Pa×s | 486.86 | Joback Calculated Property |
| η | 0.0002678 | Pa×s | 537.45 | Joback Calculated Property |
| η | 0.0001838 | Pa×s | 588.04 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 638.62 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 689.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutanoic acid, undec-2-enyl ester.
Sources
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