- InChI
- InChI=1S/C14H3F13O5/c15-10(16,13(22,23)24)8(29)31-4-1-2-6(5(3-4)7(28)12(19,20)21)32-9(30)11(17,18)14(25,26)27/h1-3H
- InChI Key
- VSBOBVMCUQMIIU-UHFFFAOYSA-N
- Formula
- C14H3F13O5
- SMILES
-
O=C(c1cc(OC(=O)C(F)(F)C(F)(F)F
)ccc1OC(=O)C(F)(F)C(F)(F)F)C(F )(F)F - Molecular Weight1
- 498.15
- 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° | -2954.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3314.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.31 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 4.638 | Crippen Calculated Property | |
| McVol | 223.820 | ml/mol | McGowan Calculated Property |
| Pc | 1483.85 | kPa | Joback Calculated Property |
| Inp | 1195.00 | NIST | |
| Tboil | 737.17 | K | Joback Calculated Property |
| Tc | 911.46 | K | Joback Calculated Property |
| Tfus | 513.02 | K | Joback Calculated Property |
| Vc | 0.945 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.13; 707.34] | J/mol×K | [737.17; 911.46] | 
|
| Cp,gas | 668.13 | J/mol×K | 737.17 | Joback Calculated Property |
| Cp,gas | 676.35 | J/mol×K | 766.22 | Joback Calculated Property |
| Cp,gas | 683.81 | J/mol×K | 795.27 | Joback Calculated Property |
| Cp,gas | 690.58 | J/mol×K | 824.32 | Joback Calculated Property |
| Cp,gas | 696.71 | J/mol×K | 853.36 | Joback Calculated Property |
| Cp,gas | 702.28 | J/mol×K | 882.41 | Joback Calculated Property |
| Cp,gas | 707.34 | J/mol×K | 911.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroquinone, 2-trifluoroacetyl, bis-PFP.
Sources
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