- InChI
- InChI=1S/C11H5F7O4/c12-9(13,10(14,15)11(16,17)18)8(21)22-6-3-1-2-5(4-6)7(19)20/h1-4H,(H,19,20)
- InChI Key
- QUDWSOPBFCWKGP-UHFFFAOYSA-N
- Formula
- C11H5F7O4
- SMILES
-
O=C(O)c1cccc(OC(=O)C(F)(F)C(F)
(F)C(F)(F)F)c1 - Molecular Weight1
- 334.14
- 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).
- 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° | -1710.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1953.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.123 | Crippen Calculated Property | |
| McVol | 169.360 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | 1371.00 | NIST | |
| Tboil | 690.28 | K | Joback Calculated Property |
| Tc | 871.19 | K | Joback Calculated Property |
| Tfus | 446.97 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.05; 516.39] | J/mol×K | [690.28; 871.19] | 
|
| Cp,gas | 477.05 | J/mol×K | 690.28 | Joback Calculated Property |
| Cp,gas | 485.15 | J/mol×K | 720.43 | Joback Calculated Property |
| Cp,gas | 492.56 | J/mol×K | 750.58 | Joback Calculated Property |
| Cp,gas | 499.34 | J/mol×K | 780.73 | Joback Calculated Property |
| Cp,gas | 505.53 | J/mol×K | 810.88 | Joback Calculated Property |
| Cp,gas | 511.20 | J/mol×K | 841.03 | Joback Calculated Property |
| Cp,gas | 516.39 | J/mol×K | 871.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(heptafluorobutyryloxy)-.
Sources
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