- InChI
- InChI=1S/C9H9BrF8O2/c10-3-1-2-5(19)20-4-7(13,14)9(17,18)8(15,16)6(11)12/h6H,1-4H2
- InChI Key
- GWXQJRHYHUDUGU-UHFFFAOYSA-N
- Formula
- C9H9BrF8O2
- SMILES
-
O=C(CCCBr)OCC(F)(F)C(F)(F)C(F)
(F)C(F)F - Molecular Weight1
- 381.06
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.6807 | Relay (... Calculated Property | |
| ΔfG° | -1747.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2072.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.47 | kJ/mol | Relay (... Calculated Property |
| IE | 10.29 | eV | Relay (... Calculated Property |
| log10WS | -4.89 | Relay (... Calculated Property | |
| logPoct/wat | 3.876 | Crippen Calculated Property | |
| McVol | 176.770 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Inp | [1272.00; 1272.00] |
|
|
| Inp | 1272.00 | NIST | |
| Inp | 1272.00 | NIST | |
| Tboil | 490.58 | K | Relay (... Calculated Property |
| Tc | 636.46 | K | Relay (... Calculated Property |
| Tfus | 274.02 | K | Relay (... Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.99; 498.64] | J/mol×K | [531.80; 689.55] |
|
| Cp,gas | 441.99 | J/mol×K | 531.80 | Joback Calculated Property |
| Cp,gas | 453.08 | J/mol×K | 558.09 | Joback Calculated Property |
| Cp,gas | 463.46 | J/mol×K | 584.38 | Joback Calculated Property |
| Cp,gas | 473.17 | J/mol×K | 610.68 | Joback Calculated Property |
| Cp,gas | 482.25 | J/mol×K | 636.97 | Joback Calculated Property |
| Cp,gas | 490.72 | J/mol×K | 663.26 | Joback Calculated Property |
| Cp,gas | 498.64 | J/mol×K | 689.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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