- InChI
- InChI=1S/C22H43BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(24)19-16-17-20-23/h2-21H2,1H3
- InChI Key
- QMVPPALRXHRWRX-UHFFFAOYSA-N
- Formula
- C22H43BrO2
- SMILES
- CCCCCCCCCCCCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 419.48
- 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° | -85.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.16 | kJ/mol | Joback Calculated Property |
| log10WS | -8.33 | Crippen Calculated Property | |
| logPoct/wat | 7.966 | Crippen Calculated Property | |
| McVol | 345.780 | ml/mol | McGowan Calculated Property |
| Pc | 967.47 | kPa | Joback Calculated Property |
| Inp | [2749.00; 2749.00] |
|
|
| Inp | 2749.00 | NIST | |
| Inp | 2749.00 | NIST | |
| Tboil | 845.21 | K | Joback Calculated Property |
| Tc | 1035.40 | K | Joback Calculated Property |
| Tfus | 469.66 | K | Joback Calculated Property |
| Vc | 1.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1085.90; 1187.14] | J/mol×K | [845.21; 1035.40] |
|
| Cp,gas | 1085.90 | J/mol×K | 845.21 | Joback Calculated Property |
| Cp,gas | 1105.31 | J/mol×K | 876.91 | Joback Calculated Property |
| Cp,gas | 1123.66 | J/mol×K | 908.61 | Joback Calculated Property |
| Cp,gas | 1140.97 | J/mol×K | 940.31 | Joback Calculated Property |
| Cp,gas | 1157.29 | J/mol×K | 972.01 | Joback Calculated Property |
| Cp,gas | 1172.67 | J/mol×K | 1003.71 | Joback Calculated Property |
| Cp,gas | 1187.14 | J/mol×K | 1035.40 | Joback Calculated Property |
| η | [0.0000434; 0.0007664] | Pa×s | [469.66; 845.21] |
|
| η | 0.0007664 | Pa×s | 469.66 | Joback Calculated Property |
| η | 0.0003584 | Pa×s | 532.25 | Joback Calculated Property |
| η | 0.0001967 | Pa×s | 594.84 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 657.43 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 720.03 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 782.62 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 845.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, heptadecyl ester.
Sources
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