- InChI
- InChI=1S/C12H23BrO2/c1-3-7-11(2)10-15-12(14)8-5-4-6-9-13/h11H,3-10H2,1-2H3
- InChI Key
- JMGALUFBIWBQEP-UHFFFAOYSA-N
- Formula
- C12H23BrO2
- SMILES
- CCCC(C)COC(=O)CCCCCBr
- Molecular Weight1
- 279.21
- 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° | -171.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.51 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.921 | Crippen Calculated Property | |
| McVol | 204.880 | ml/mol | McGowan Calculated Property |
| Pc | 1980.59 | kPa | Joback Calculated Property |
| Inp | 1737.00 | NIST | |
| Tboil | 615.97 | K | Joback Calculated Property |
| Tc | 800.98 | K | Joback Calculated Property |
| Tfus | 341.96 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.85; 593.71] | J/mol×K | [615.97; 800.98] | 
|
| Cp,gas | 512.85 | J/mol×K | 615.97 | Joback Calculated Property |
| Cp,gas | 528.06 | J/mol×K | 646.81 | Joback Calculated Property |
| Cp,gas | 542.55 | J/mol×K | 677.64 | Joback Calculated Property |
| Cp,gas | 556.34 | J/mol×K | 708.48 | Joback Calculated Property |
| Cp,gas | 569.46 | J/mol×K | 739.31 | Joback Calculated Property |
| Cp,gas | 581.90 | J/mol×K | 770.15 | Joback Calculated Property |
| Cp,gas | 593.71 | J/mol×K | 800.98 | Joback Calculated Property |
| η | [0.0001621; 0.0025939] | Pa×s | [341.96; 615.97] |
|
| η | 0.0025939 | Pa×s | 341.96 | Joback Calculated Property |
| η | 0.0012447 | Pa×s | 387.63 | Joback Calculated Property |
| η | 0.0006973 | Pa×s | 433.30 | Joback Calculated Property |
| η | 0.0004362 | Pa×s | 478.97 | Joback Calculated Property |
| η | 0.0002961 | Pa×s | 524.63 | Joback Calculated Property |
| η | 0.0002139 | Pa×s | 570.30 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 615.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2-methylpentyl ester.
Sources
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