- InChI
- InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h2-15H2,1H3
- InChI Key
- MWDGQCNABWWJEF-UHFFFAOYSA-N
- Formula
- C16H31BrO2
- SMILES
- CCCCCCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 335.32
- CAS
- 300381-07-1
- Other Names
-
- 5-Bromovaleric acid, undecyl ester
- 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° | -135.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.81 | Crippen Calculated Property | |
| logPoct/wat | 5.626 | Crippen Calculated Property | |
| McVol | 261.240 | ml/mol | McGowan Calculated Property |
| Pc | 1435.89 | kPa | Joback Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 707.93 | K | Joback Calculated Property |
| Tc | 886.70 | K | Joback Calculated Property |
| Tfus | 402.04 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.59; 817.97] | J/mol×K | [707.93; 886.70] |
|
| Cp,gas | 728.59 | J/mol×K | 707.93 | Joback Calculated Property |
| Cp,gas | 745.44 | J/mol×K | 737.72 | Joback Calculated Property |
| Cp,gas | 761.48 | J/mol×K | 767.52 | Joback Calculated Property |
| Cp,gas | 776.72 | J/mol×K | 797.31 | Joback Calculated Property |
| Cp,gas | 791.21 | J/mol×K | 827.11 | Joback Calculated Property |
| Cp,gas | 804.95 | J/mol×K | 856.90 | Joback Calculated Property |
| Cp,gas | 817.97 | J/mol×K | 886.70 | Joback Calculated Property |
| η | [0.0001034; 0.0014706] | Pa×s | [402.04; 707.93] |
|
| η | 0.0014706 | Pa×s | 402.04 | Joback Calculated Property |
| η | 0.0007366 | Pa×s | 453.02 | Joback Calculated Property |
| η | 0.0004243 | Pa×s | 504.00 | Joback Calculated Property |
| η | 0.0002705 | Pa×s | 554.99 | Joback Calculated Property |
| η | 0.0001860 | Pa×s | 605.97 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 656.95 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 707.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecyl 5-bromovalerate.
Sources
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