- InChI
- InChI=1S/C20H23F17O2/c1-2-3-4-5-6-7-8-9-10-11-39-12(38)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h2-11H2,1H3
- InChI Key
- QQKHMPLDRNTDGE-UHFFFAOYSA-N
- Formula
- C20H23F17O2
- SMILES
-
CCCCCCCCCCCOC(=O)C(F)(F)C(F)(F
)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C (F)(F)C(F)(F)F - Molecular Weight1
- 618.37
- 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 | 0.9680 | Relay (1.0) Calculated Property | |
| ΔfG° | -3405.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4147.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.070 | Crippen Calculated Property | |
| McVol | 330.190 | ml/mol | McGowan Calculated Property |
| Pc | 728.49 | kPa | Joback Calculated Property |
| Inp | 1586.00 | NIST | |
| Tboil | 562.35 | K | Relay (1.0) Calculated Property |
| Tc | 661.77 | K | Relay (1.0) Calculated Property |
| Tfus | 310.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.317 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1053.83; 1134.71] | J/mol×K | [695.04; 851.25] | 
|
| Cp,gas | 1053.83 | J/mol×K | 695.04 | Joback Calculated Property |
| Cp,gas | 1069.68 | J/mol×K | 721.08 | Joback Calculated Property |
| Cp,gas | 1084.46 | J/mol×K | 747.11 | Joback Calculated Property |
| Cp,gas | 1098.27 | J/mol×K | 773.15 | Joback Calculated Property |
| Cp,gas | 1111.19 | J/mol×K | 799.18 | Joback Calculated Property |
| Cp,gas | 1123.31 | J/mol×K | 825.22 | Joback Calculated Property |
| Cp,gas | 1134.71 | J/mol×K | 851.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, undecyl ester.
Sources
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