- InChI
- InChI=1S/C11H7F7O2/c1-6-3-2-4-7(5-6)20-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
- InChI Key
- NTTFSSUNLZOBKZ-UHFFFAOYSA-N
- Formula
- C11H7F7O2
- SMILES
-
Cc1cccc(OC(=O)C(F)(F)C(F)(F)C(
F)(F)F)c1 - Molecular Weight1
- 304.16
- 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).
- 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 | 0.5312 | Relay (1.0) Calculated Property | |
| ΔfG° | -1444.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1774.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.733 | Crippen Calculated Property | |
| McVol | 161.920 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Tboil | 458.57 | K | Relay (1.0) Calculated Property |
| Tc | 632.08 | K | Relay (1.0) Calculated Property |
| Tfus | 243.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.92; 474.82] | J/mol×K | [544.23; 723.63] | 
|
| Cp,gas | 413.92 | J/mol×K | 544.23 | Joback Calculated Property |
| Cp,gas | 426.16 | J/mol×K | 574.13 | Joback Calculated Property |
| Cp,gas | 437.49 | J/mol×K | 604.03 | Joback Calculated Property |
| Cp,gas | 447.97 | J/mol×K | 633.93 | Joback Calculated Property |
| Cp,gas | 457.66 | J/mol×K | 663.83 | Joback Calculated Property |
| Cp,gas | 466.59 | J/mol×K | 693.73 | Joback Calculated Property |
| Cp,gas | 474.82 | J/mol×K | 723.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptafluorobutyric acid, 3-methyl ester.
Sources
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