- InChI
- InChI=1S/C17H33BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18/h16H,3-15H2,1-2H3
- InChI Key
- XLNAEONRIMSMIY-UHFFFAOYSA-N
- Formula
- C17H33BrO2
- SMILES
- CCCCCCCCCCCCCCOC(=O)C(C)Br
- Molecular Weight1
- 349.35
- CAS
- 86711-82-2
- Other Names
-
- Tetradecyl 2-bromopropanoate
- 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 | 0.8992 | Relay (1.0) Calculated Property | |
| ΔfG° | -129.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.014 | Crippen Calculated Property | |
| McVol | 275.330 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Inp | [2111.00; 2140.40] |
|
|
| Inp | 2111.00 | NIST | |
| Inp | 2140.40 | NIST | |
| Inp | 2111.00 | NIST | |
| Inp | 2140.40 | NIST | |
| Tboil | 587.60 | K | Relay (1.0) Calculated Property |
| Tc | 775.11 | K | Relay (1.0) Calculated Property |
| Tfus | 313.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.045 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.19; 878.40] | J/mol×K | [730.37; 911.36] |
|
| Cp,gas | 786.19 | J/mol×K | 730.37 | Joback Calculated Property |
| Cp,gas | 803.65 | J/mol×K | 760.54 | Joback Calculated Property |
| Cp,gas | 820.24 | J/mol×K | 790.70 | Joback Calculated Property |
| Cp,gas | 835.98 | J/mol×K | 820.87 | Joback Calculated Property |
| Cp,gas | 850.90 | J/mol×K | 851.03 | Joback Calculated Property |
| Cp,gas | 865.04 | J/mol×K | 881.20 | Joback Calculated Property |
| Cp,gas | 878.40 | J/mol×K | 911.36 | Joback Calculated Property |
| η | [0.0000831; 0.0016202] | Pa×s | [398.31; 730.37] |
|
| η | 0.0016202 | Pa×s | 398.31 | Joback Calculated Property |
| η | 0.0007302 | Pa×s | 453.65 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 509.00 | Joback Calculated Property |
| η | 0.0002371 | Pa×s | 564.34 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 619.68 | Joback Calculated Property |
| η | 0.0001113 | Pa×s | 675.03 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 730.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2- Bromopropionic acid, tetradecyl ester.
Sources
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