- InChI
- InChI=1S/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3
- InChI Key
- JIQJOKSCSVMZAN-UHFFFAOYSA-N
- Formula
- C10H19BrO2
- SMILES
- CCCCCCC(Br)C(=O)OCC
- Molecular Weight1
- 251.16
- CAS
- 5445-29-4
- Other Names
-
- Octanoic acid, 2-bromo-, ethyl 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° | -188.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.283 | Crippen Calculated Property | |
| McVol | 176.700 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | [1383.00; 1383.00] |
|
|
| Inp | 1383.00 | NIST | |
| Inp | 1383.00 | NIST | |
| Tboil | 570.21 | K | Joback Calculated Property |
| Tc | 759.20 | K | Joback Calculated Property |
| Tfus | 319.42 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.36; 487.43] | J/mol×K | [570.21; 759.20] |
|
| Cp,gas | 413.36 | J/mol×K | 570.21 | Joback Calculated Property |
| Cp,gas | 427.26 | J/mol×K | 601.71 | Joback Calculated Property |
| Cp,gas | 440.53 | J/mol×K | 633.21 | Joback Calculated Property |
| Cp,gas | 453.16 | J/mol×K | 664.71 | Joback Calculated Property |
| Cp,gas | 465.18 | J/mol×K | 696.20 | Joback Calculated Property |
| Cp,gas | 476.60 | J/mol×K | 727.70 | Joback Calculated Property |
| Cp,gas | 487.43 | J/mol×K | 759.20 | Joback Calculated Property |
| η | [0.0002060; 0.0029907] | Pa×s | [319.42; 570.21] |
|
| η | 0.0029907 | Pa×s | 319.42 | Joback Calculated Property |
| η | 0.0014794 | Pa×s | 361.22 | Joback Calculated Property |
| η | 0.0008469 | Pa×s | 403.02 | Joback Calculated Property |
| η | 0.0005384 | Pa×s | 444.82 | Joback Calculated Property |
| η | 0.0003699 | Pa×s | 486.61 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 528.41 | Joback Calculated Property |
| η | 0.0002060 | Pa×s | 570.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-bromooctanoate.
Sources
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