- InChI
- InChI=1S/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3
- InChI Key
- GNCLPIAYAPQPOU-UHFFFAOYSA-N
- Formula
- C9H17BrO2
- SMILES
- CCCCCC(Br)C(=O)OCC
- Molecular Weight1
- 237.13
- CAS
- 5333-88-0
- Other Names
-
- Heptanoic acid, 2-bromo-, ethyl ester
- ethyl 2-bromoheptanoate
- 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° | -197.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 2.893 | Crippen Calculated Property | |
| McVol | 162.610 | ml/mol | McGowan Calculated Property |
| Pc | 2605.74 | kPa | Joback Calculated Property |
| Inp | [1282.00; 1382.00] |
|
|
| Inp | 1382.00 | NIST | |
| Inp | 1282.00 | NIST | |
| Tboil | 547.33 | K | Joback Calculated Property |
| Tc | 738.62 | K | Joback Calculated Property |
| Tfus | 308.15 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.10; 436.04] | J/mol×K | [547.33; 738.62] |
|
| Cp,gas | 366.10 | J/mol×K | 547.33 | Joback Calculated Property |
| Cp,gas | 379.22 | J/mol×K | 579.21 | Joback Calculated Property |
| Cp,gas | 391.74 | J/mol×K | 611.09 | Joback Calculated Property |
| Cp,gas | 403.67 | J/mol×K | 642.98 | Joback Calculated Property |
| Cp,gas | 415.02 | J/mol×K | 674.86 | Joback Calculated Property |
| Cp,gas | 425.81 | J/mol×K | 706.74 | Joback Calculated Property |
| Cp,gas | 436.04 | J/mol×K | 738.62 | Joback Calculated Property |
| η | [0.0002304; 0.0031707] | Pa×s | [308.15; 547.33] |
|
| η | 0.0031707 | Pa×s | 308.15 | Joback Calculated Property |
| η | 0.0015948 | Pa×s | 348.01 | Joback Calculated Property |
| η | 0.0009238 | Pa×s | 387.88 | Joback Calculated Property |
| η | 0.0005925 | Pa×s | 427.74 | Joback Calculated Property |
| η | 0.0004099 | Pa×s | 467.60 | Joback Calculated Property |
| η | 0.0003004 | Pa×s | 507.47 | Joback Calculated Property |
| η | 0.0002304 | Pa×s | 547.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl «alpha»-bromoheptanoate.
Sources
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