- InChI
- InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14H,3-13H2,1-2H3
- InChI Key
- RXTSHIDRCASANN-UHFFFAOYSA-N
- Formula
- C15H29BrO2
- SMILES
- CCCCCCCCCCCCOC(=O)C(C)Br
- Molecular Weight1
- 321.29
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8284 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.234 | Crippen Calculated Property | |
| McVol | 247.150 | ml/mol | McGowan Calculated Property |
| Pc | 1556.12 | kPa | Joback Calculated Property |
| Inp | [1911.00; 1911.00] |
|
|
| Inp | 1911.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Tboil | 571.91 | K | Relay (1.0) Calculated Property |
| Tc | 756.45 | K | Relay (1.0) Calculated Property |
| Tfus | 303.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.08; 761.41] | J/mol×K | [684.61; 865.94] |
|
| Cp,gas | 673.08 | J/mol×K | 684.61 | Joback Calculated Property |
| Cp,gas | 689.75 | J/mol×K | 714.83 | Joback Calculated Property |
| Cp,gas | 705.61 | J/mol×K | 745.05 | Joback Calculated Property |
| Cp,gas | 720.68 | J/mol×K | 775.28 | Joback Calculated Property |
| Cp,gas | 734.99 | J/mol×K | 805.50 | Joback Calculated Property |
| Cp,gas | 748.56 | J/mol×K | 835.72 | Joback Calculated Property |
| Cp,gas | 761.41 | J/mol×K | 865.94 | Joback Calculated Property |
| η | [0.0001097; 0.0019888] | Pa×s | [375.77; 684.61] |
|
| η | 0.0019888 | Pa×s | 375.77 | Joback Calculated Property |
| η | 0.0009173 | Pa×s | 427.24 | Joback Calculated Property |
| η | 0.0004997 | Pa×s | 478.72 | Joback Calculated Property |
| η | 0.0003063 | Pa×s | 530.19 | Joback Calculated Property |
| η | 0.0002047 | Pa×s | 581.66 | Joback Calculated Property |
| η | 0.0001461 | Pa×s | 633.14 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 684.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl 2-bromopropanoate.
Sources
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