- InChI
- InChI=1S/C20H25F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-37-13(36)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h2-12H2,1H3
- InChI Key
- XWMIMQYCDZVNJM-UHFFFAOYSA-N
- Formula
- C20H25F15O2
- SMILES
-
CCCCCCCCCCCCOC(=O)C(F)(F)C(F)(
F)C(F)(F)C(F)(F)C(F)(F)C(F)(F) C(F)(F)F - Molecular Weight1
- 582.39
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9678 | Relay (... Calculated Property | |
| ΔfG° | -3018.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3754.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.61 | kJ/mol | Relay (... Calculated Property |
| IE | 10.48 | eV | Relay (... Calculated Property |
| log10WS | -9.44 | Relay (... Calculated Property | |
| logPoct/wat | 8.825 | Crippen Calculated Property | |
| McVol | 326.650 | ml/mol | McGowan Calculated Property |
| Pc | 757.23 | kPa | Joback Calculated Property |
| Inp | [1642.00; 1642.00] |
|
|
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 560.25 | K | Relay (... Calculated Property |
| Tc | 662.33 | K | Relay (... Calculated Property |
| Tfus | 298.23 | K | Relay (... Calculated Property |
| Vc | 1.289 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.22; 1119.25] | J/mol×K | [699.73; 856.73] |
|
| Cp,gas | 1036.22 | J/mol×K | 699.73 | Joback Calculated Property |
| Cp,gas | 1052.36 | J/mol×K | 725.90 | Joback Calculated Property |
| Cp,gas | 1067.46 | J/mol×K | 752.06 | Joback Calculated Property |
| Cp,gas | 1081.63 | J/mol×K | 778.23 | Joback Calculated Property |
| Cp,gas | 1094.92 | J/mol×K | 804.40 | Joback Calculated Property |
| Cp,gas | 1107.44 | J/mol×K | 830.56 | Joback Calculated Property |
| Cp,gas | 1119.25 | J/mol×K | 856.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, dodecyl ester.
Sources
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