- InChI
- InChI=1S/C10H3BrF8O2/c11-5-3-4(12)1-2-6(5)21-7(20)8(13,14)9(15,16)10(17,18)19/h1-3H
- InChI Key
- WIFDCTLCGYQDNW-UHFFFAOYSA-N
- Formula
- C10H3BrF8O2
- SMILES
-
O=C(Oc1ccc(F)cc1Br)C(F)(F)C(F)
(F)C(F)(F)F - Molecular Weight1
- 387.02
- 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 | 0.5515 | Relay (1.0) Calculated Property | |
| ΔfG° | -1643.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1876.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.327 | Crippen Calculated Property | |
| McVol | 167.100 | ml/mol | McGowan Calculated Property |
| Pc | 2345.09 | kPa | Joback Calculated Property |
| Inp | [850.00; 850.00] |
|
|
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Tboil | 470.35 | K | Relay (1.0) Calculated Property |
| Tc | 649.74 | K | Relay (1.0) Calculated Property |
| Tfus | 265.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.96; 458.15] | J/mol×K | [591.76; 778.47] |
|
| Cp,gas | 412.96 | J/mol×K | 591.76 | Joback Calculated Property |
| Cp,gas | 422.33 | J/mol×K | 622.88 | Joback Calculated Property |
| Cp,gas | 430.89 | J/mol×K | 654.00 | Joback Calculated Property |
| Cp,gas | 438.69 | J/mol×K | 685.11 | Joback Calculated Property |
| Cp,gas | 445.80 | J/mol×K | 716.23 | Joback Calculated Property |
| Cp,gas | 452.27 | J/mol×K | 747.35 | Joback Calculated Property |
| Cp,gas | 458.15 | J/mol×K | 778.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, 2-bromo-4-fluorophenyl ester.
Sources
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