- InChI
- InChI=1S/C12H21BrO2/c1-3-4-5-6-8-11(2)15-12(14)9-7-10-13/h6,8,11H,3-5,7,9-10H2,1-2H3/b8-6+
- InChI Key
- YGSZKEKARQJBAA-SOFGYWHQSA-N
- Formula
- C12H21BrO2
- SMILES
- CCCCC=CC(C)OC(=O)CCCBr
- Molecular Weight1
- 277.20
- 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).
- 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° | -91.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 200.580 | ml/mol | McGowan Calculated Property |
| Pc | 2075.54 | kPa | Joback Calculated Property |
| Inp | 1590.00 | NIST | |
| Tboil | 620.13 | K | Joback Calculated Property |
| Tc | 812.08 | K | Joback Calculated Property |
| Tfus | 336.88 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.24; 569.98] | J/mol×K | [620.13; 812.08] | 
|
| Cp,gas | 492.24 | J/mol×K | 620.13 | Joback Calculated Property |
| Cp,gas | 506.98 | J/mol×K | 652.12 | Joback Calculated Property |
| Cp,gas | 520.96 | J/mol×K | 684.11 | Joback Calculated Property |
| Cp,gas | 534.22 | J/mol×K | 716.11 | Joback Calculated Property |
| Cp,gas | 546.80 | J/mol×K | 748.10 | Joback Calculated Property |
| Cp,gas | 558.71 | J/mol×K | 780.09 | Joback Calculated Property |
| Cp,gas | 569.98 | J/mol×K | 812.08 | Joback Calculated Property |
| η | [0.0001389; 0.0024191] | Pa×s | [336.88; 620.13] |
|
| η | 0.0024191 | Pa×s | 336.88 | Joback Calculated Property |
| η | 0.0011213 | Pa×s | 384.09 | Joback Calculated Property |
| η | 0.0006150 | Pa×s | 431.30 | Joback Calculated Property |
| η | 0.0003798 | Pa×s | 478.50 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 525.71 | Joback Calculated Property |
| η | 0.0001838 | Pa×s | 572.92 | Joback Calculated Property |
| η | 0.0001389 | Pa×s | 620.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutanoic acid, oct-3-en-2-yl ester.
Sources
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