- InChI
- InChI=1S/C13H25BrO2/c1-2-3-4-5-6-9-12-16-13(15)10-7-8-11-14/h2-12H2,1H3
- InChI Key
- WJGKHCBEUVDHNP-UHFFFAOYSA-N
- Formula
- C13H25BrO2
- SMILES
- CCCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 293.24
- CAS
- 13931-44-7
- 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° | -161.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 218.970 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Inp | 1823.00 | NIST | |
| Tboil | 639.29 | K | Joback Calculated Property |
| Tc | 819.82 | K | Joback Calculated Property |
| Tfus | 368.23 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.45; 646.83] | J/mol×K | [639.29; 819.82] | 
|
| Cp,gas | 564.45 | J/mol×K | 639.29 | Joback Calculated Property |
| Cp,gas | 579.92 | J/mol×K | 669.38 | Joback Calculated Property |
| Cp,gas | 594.66 | J/mol×K | 699.47 | Joback Calculated Property |
| Cp,gas | 608.71 | J/mol×K | 729.56 | Joback Calculated Property |
| Cp,gas | 622.07 | J/mol×K | 759.65 | Joback Calculated Property |
| Cp,gas | 634.77 | J/mol×K | 789.74 | Joback Calculated Property |
| Cp,gas | 646.83 | J/mol×K | 819.82 | Joback Calculated Property |
| η | [0.0001536; 0.0019071] | Pa×s | [368.23; 639.29] |
|
| η | 0.0019071 | Pa×s | 368.23 | Joback Calculated Property |
| η | 0.0009964 | Pa×s | 413.41 | Joback Calculated Property |
| η | 0.0005916 | Pa×s | 458.58 | Joback Calculated Property |
| η | 0.0003857 | Pa×s | 503.76 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 548.94 | Joback Calculated Property |
| η | 0.0001993 | Pa×s | 594.11 | Joback Calculated Property |
| η | 0.0001536 | Pa×s | 639.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, octyl ester.
Sources
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