- InChI
- InChI=1S/C16H16F8O2/c1-2-3-4-10-5-7-11(8-6-10)12(25)26-9-14(19,20)16(23,24)15(21,22)13(17)18/h5-8,13H,2-4,9H2,1H3
- InChI Key
- LYIBRZAOIWKJFF-UHFFFAOYSA-N
- Formula
- C16H16F8O2
- SMILES
-
CCCCc1ccc(C(=O)OCC(F)(F)C(F)(F
)C(F)(F)C(F)F)cc1 - Molecular Weight1
- 392.28
- 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° | -1599.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1993.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.49 | kJ/mol | Joback Calculated Property |
| log10WS | -6.28 | Crippen Calculated Property | |
| logPoct/wat | 5.357 | Crippen Calculated Property | |
| McVol | 234.140 | ml/mol | McGowan Calculated Property |
| Pc | 1385.05 | kPa | Joback Calculated Property |
| Inp | 1725.00 | NIST | |
| Tboil | 657.46 | K | Joback Calculated Property |
| Tc | 828.12 | K | Joback Calculated Property |
| Tfus | 378.16 | K | Joback Calculated Property |
| Vc | 0.953 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [671.77; 743.42] | J/mol×K | [657.46; 828.12] | 
|
| Cp,gas | 671.77 | J/mol×K | 657.46 | Joback Calculated Property |
| Cp,gas | 685.79 | J/mol×K | 685.90 | Joback Calculated Property |
| Cp,gas | 698.91 | J/mol×K | 714.35 | Joback Calculated Property |
| Cp,gas | 711.18 | J/mol×K | 742.79 | Joback Calculated Property |
| Cp,gas | 722.66 | J/mol×K | 771.24 | Joback Calculated Property |
| Cp,gas | 733.38 | J/mol×K | 799.68 | Joback Calculated Property |
| Cp,gas | 743.42 | J/mol×K | 828.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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