- InChI
- InChI=1S/C21H41BrO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)24-21(23)18-14-15-19-22/h20H,3-19H2,1-2H3
- InChI Key
- DBFLPCQSFPWVRL-UHFFFAOYSA-N
- Formula
- C21H41BrO2
- SMILES
- CCCCCCCCCCCCC(CCC)OC(=O)CCCCBr
- Molecular Weight1
- 405.45
- 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° | -96.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.02 | Crippen Calculated Property | |
| logPoct/wat | 7.575 | Crippen Calculated Property | |
| McVol | 331.690 | ml/mol | McGowan Calculated Property |
| Pc | 1033.24 | kPa | Joback Calculated Property |
| Inp | [2489.00; 2489.00] |
|
|
| Inp | 2489.00 | NIST | |
| Inp | 2489.00 | NIST | |
| Tboil | 821.89 | K | Joback Calculated Property |
| Tc | 1009.13 | K | Joback Calculated Property |
| Tfus | 443.39 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.62; 1123.94] | J/mol×K | [821.89; 1009.13] |
|
| Cp,gas | 1024.62 | J/mol×K | 821.89 | Joback Calculated Property |
| Cp,gas | 1043.63 | J/mol×K | 853.10 | Joback Calculated Property |
| Cp,gas | 1061.60 | J/mol×K | 884.30 | Joback Calculated Property |
| Cp,gas | 1078.58 | J/mol×K | 915.51 | Joback Calculated Property |
| Cp,gas | 1094.61 | J/mol×K | 946.72 | Joback Calculated Property |
| Cp,gas | 1109.71 | J/mol×K | 977.92 | Joback Calculated Property |
| Cp,gas | 1123.94 | J/mol×K | 1009.13 | Joback Calculated Property |
| η | [0.0000463; 0.0010210] | Pa×s | [443.39; 821.89] |
|
| η | 0.0010210 | Pa×s | 443.39 | Joback Calculated Property |
| η | 0.0004422 | Pa×s | 506.47 | Joback Calculated Property |
| η | 0.0002305 | Pa×s | 569.56 | Joback Calculated Property |
| η | 0.0001368 | Pa×s | 632.64 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 695.72 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 758.81 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 821.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 4-hexadecyl ester.
Sources
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