- InChI
- InChI=1S/C11H7F7O3/c1-20-6-2-4-7(5-3-6)21-8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3
- InChI Key
- MAXXAEQHDYJTRK-UHFFFAOYSA-N
- Formula
- C11H7F7O3
- SMILES
-
COc1ccc(OC(=O)C(F)(F)C(F)(F)C(
F)(F)F)cc1 - Molecular Weight1
- 320.16
- CAS
- 80527-45-3
- Other Names
-
- Heptafluorobutyric acid, 4-methoxyphenyl ester
- 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° | -1549.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1821.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.98 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 167.790 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Inp | 1177.00 | NIST | |
| Tboil | 566.65 | K | Joback Calculated Property |
| Tc | 745.25 | K | Joback Calculated Property |
| Tfus | 358.45 | K | Joback Calculated Property |
| Vc | 0.678 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.54; 497.74] | J/mol×K | [566.65; 745.25] | 
|
| Cp,gas | 438.54 | J/mol×K | 566.65 | Joback Calculated Property |
| Cp,gas | 450.35 | J/mol×K | 596.42 | Joback Calculated Property |
| Cp,gas | 461.33 | J/mol×K | 626.18 | Joback Calculated Property |
| Cp,gas | 471.52 | J/mol×K | 655.95 | Joback Calculated Property |
| Cp,gas | 480.95 | J/mol×K | 685.71 | Joback Calculated Property |
| Cp,gas | 489.68 | J/mol×K | 715.48 | Joback Calculated Property |
| Cp,gas | 497.74 | J/mol×K | 745.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxyphenol, heptafluorobutyrate.
Sources
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