- InChI
- InChI=1S/C13H23BrO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h6,9,12H,3-5,7-8,10-11H2,1-2H3/b9-6+
- InChI Key
- PIOWGKOAQGEQCT-RMKNXTFCSA-N
- Formula
- C13H23BrO2
- SMILES
- CCCCC=CC(C)OC(=O)CCCCBr
- Molecular Weight1
- 291.23
- 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° | -83.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.230 | Crippen Calculated Property | |
| McVol | 214.670 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Inp | [1744.60; 1744.60] |
|
|
| Inp | 1744.60 | NIST | |
| Inp | 1744.60 | NIST | |
| Tboil | 643.01 | K | Joback Calculated Property |
| Tc | 832.93 | K | Joback Calculated Property |
| Tfus | 348.15 | K | Joback Calculated Property |
| Vc | 0.824 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.70; 624.35] | J/mol×K | [643.01; 832.93] |
|
| Cp,gas | 543.70 | J/mol×K | 643.01 | Joback Calculated Property |
| Cp,gas | 558.98 | J/mol×K | 674.66 | Joback Calculated Property |
| Cp,gas | 573.49 | J/mol×K | 706.32 | Joback Calculated Property |
| Cp,gas | 587.24 | J/mol×K | 737.97 | Joback Calculated Property |
| Cp,gas | 600.29 | J/mol×K | 769.62 | Joback Calculated Property |
| Cp,gas | 612.65 | J/mol×K | 801.27 | Joback Calculated Property |
| Cp,gas | 624.35 | J/mol×K | 832.93 | Joback Calculated Property |
| η | [0.0001227; 0.0022293] | Pa×s | [348.15; 643.01] |
|
| η | 0.0022293 | Pa×s | 348.15 | Joback Calculated Property |
| η | 0.0010197 | Pa×s | 397.29 | Joback Calculated Property |
| η | 0.0005540 | Pa×s | 446.44 | Joback Calculated Property |
| η | 0.0003397 | Pa×s | 495.58 | Joback Calculated Property |
| η | 0.0002276 | Pa×s | 544.72 | Joback Calculated Property |
| η | 0.0001629 | Pa×s | 593.87 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 643.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, oct-3-en-2-yl ester.
Sources
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