- InChI
- InChI=1S/C13H25BrO2/c1-3-5-6-7-8-9-10-11-12(14)13(15)16-4-2/h12H,3-11H2,1-2H3
- InChI Key
- AJPBEWRTHGLNRQ-UHFFFAOYSA-N
- Formula
- C13H25BrO2
- SMILES
- CCCCCCCCCC(Br)C(=O)OCC
- Molecular Weight1
- 293.24
- 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° | -163.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.73 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.454 | Crippen Calculated Property | |
| McVol | 218.970 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [1634.00; 1634.00] |
|
|
| Inp | 1634.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Tboil | 638.85 | K | Joback Calculated Property |
| Tc | 822.28 | K | Joback Calculated Property |
| Tfus | 353.23 | K | Joback Calculated Property |
| Vc | 0.844 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.89; 648.53] | J/mol×K | [638.85; 822.28] |
|
| Cp,gas | 564.89 | J/mol×K | 638.85 | Joback Calculated Property |
| Cp,gas | 580.63 | J/mol×K | 669.42 | Joback Calculated Property |
| Cp,gas | 595.63 | J/mol×K | 699.99 | Joback Calculated Property |
| Cp,gas | 609.91 | J/mol×K | 730.56 | Joback Calculated Property |
| Cp,gas | 623.47 | J/mol×K | 761.14 | Joback Calculated Property |
| Cp,gas | 636.33 | J/mol×K | 791.71 | Joback Calculated Property |
| Cp,gas | 648.53 | J/mol×K | 822.28 | Joback Calculated Property |
| η | [0.0001429; 0.0023891] | Pa×s | [353.23; 638.85] |
|
| η | 0.0023891 | Pa×s | 353.23 | Joback Calculated Property |
| η | 0.0011305 | Pa×s | 400.83 | Joback Calculated Property |
| η | 0.0006271 | Pa×s | 448.44 | Joback Calculated Property |
| η | 0.0003895 | Pa×s | 496.04 | Joback Calculated Property |
| η | 0.0002630 | Pa×s | 543.64 | Joback Calculated Property |
| η | 0.0001891 | Pa×s | 591.25 | Joback Calculated Property |
| η | 0.0001429 | Pa×s | 638.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecanoic acid, 2-bromo, methyl ester.
Sources
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