- InChI
- InChI=1S/C14H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15/h2-13H2,1H3
- InChI Key
- QIPFGFYXERNTNP-UHFFFAOYSA-N
- Formula
- C14H27BrO2
- SMILES
- CCCCCCCCCCCCOC(=O)CBr
- Molecular Weight1
- 307.27
- CAS
- 3674-07-5
- Other Names
-
- Dodecyl bromoacetate
- 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° | -152.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.845 | Crippen Calculated Property | |
| McVol | 233.060 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [1885.30; 1885.30] |
|
|
| Inp | 1885.30 | NIST | |
| Inp | 1885.30 | NIST | |
| Tboil | 662.17 | K | Joback Calculated Property |
| Tc | 841.70 | K | Joback Calculated Property |
| Tfus | 379.50 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.88; 702.81] | J/mol×K | [662.17; 841.70] |
|
| Cp,gas | 617.88 | J/mol×K | 662.17 | Joback Calculated Property |
| Cp,gas | 633.84 | J/mol×K | 692.09 | Joback Calculated Property |
| Cp,gas | 649.05 | J/mol×K | 722.01 | Joback Calculated Property |
| Cp,gas | 663.54 | J/mol×K | 751.94 | Joback Calculated Property |
| Cp,gas | 677.31 | J/mol×K | 781.86 | Joback Calculated Property |
| Cp,gas | 690.40 | J/mol×K | 811.78 | Joback Calculated Property |
| Cp,gas | 702.81 | J/mol×K | 841.70 | Joback Calculated Property |
| η | [0.0001351; 0.0017594] | Pa×s | [379.50; 662.17] |
|
| η | 0.0017594 | Pa×s | 379.50 | Joback Calculated Property |
| η | 0.0009057 | Pa×s | 426.61 | Joback Calculated Property |
| η | 0.0005321 | Pa×s | 473.72 | Joback Calculated Property |
| η | 0.0003442 | Pa×s | 520.84 | Joback Calculated Property |
| η | 0.0002393 | Pa×s | 567.95 | Joback Calculated Property |
| η | 0.0001759 | Pa×s | 615.06 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 662.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromoacetic acid, dodecyl ester.
Sources
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