- InChI
- InChI=1S/C9H17BrO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-8H2,1H3
- InChI Key
- SKMQINQBZSMTFL-UHFFFAOYSA-N
- Formula
- C9H17BrO2
- SMILES
- CCCCCCOC(=O)CCBr
- Molecular Weight1
- 237.13
- 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° | -194.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.895 | Crippen Calculated Property | |
| McVol | 162.610 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Inp | 1373.00 | NIST | |
| Tboil | 547.77 | K | Joback Calculated Property |
| Tc | 735.28 | K | Joback Calculated Property |
| Tfus | 323.15 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.76; 434.25] | J/mol×K | [547.77; 735.28] | 
|
| Cp,gas | 365.76 | J/mol×K | 547.77 | Joback Calculated Property |
| Cp,gas | 378.57 | J/mol×K | 579.02 | Joback Calculated Property |
| Cp,gas | 390.80 | J/mol×K | 610.27 | Joback Calculated Property |
| Cp,gas | 402.47 | J/mol×K | 641.52 | Joback Calculated Property |
| Cp,gas | 413.59 | J/mol×K | 672.78 | Joback Calculated Property |
| Cp,gas | 424.18 | J/mol×K | 704.03 | Joback Calculated Property |
| Cp,gas | 434.25 | J/mol×K | 735.28 | Joback Calculated Property |
| η | [0.0002452; 0.0024410] | Pa×s | [323.15; 547.77] |
|
| η | 0.0024410 | Pa×s | 323.15 | Joback Calculated Property |
| η | 0.0013642 | Pa×s | 360.59 | Joback Calculated Property |
| η | 0.0008506 | Pa×s | 398.02 | Joback Calculated Property |
| η | 0.0005753 | Pa×s | 435.46 | Joback Calculated Property |
| η | 0.0004139 | Pa×s | 472.90 | Joback Calculated Property |
| η | 0.0003125 | Pa×s | 510.33 | Joback Calculated Property |
| η | 0.0002452 | Pa×s | 547.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 3-bromopropanoate.
Sources
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