- InChI
- InChI=1S/C25H33F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-44-17(43)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h2-16H2,1H3
- InChI Key
- XHSDTKJQIBYBHV-UHFFFAOYSA-N
- Formula
- C25H33F17O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=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
- 688.50
- 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° | -3363.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4208.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.14 | kJ/mol | Joback Calculated Property |
| log10WS | -12.01 | Crippen Calculated Property | |
| logPoct/wat | 11.020 | Crippen Calculated Property | |
| McVol | 400.640 | ml/mol | McGowan Calculated Property |
| Pc | 570.96 | kPa | Joback Calculated Property |
| Inp | 2020.00 | NIST | |
| Tboil | 809.44 | K | Joback Calculated Property |
| Tc | 1006.49 | K | Joback Calculated Property |
| Tfus | 473.06 | K | Joback Calculated Property |
| Vc | 1.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1349.33; 1451.50] | J/mol×K | [809.44; 1006.49] | 
|
| Cp,gas | 1349.33 | J/mol×K | 809.44 | Joback Calculated Property |
| Cp,gas | 1368.98 | J/mol×K | 842.28 | Joback Calculated Property |
| Cp,gas | 1387.33 | J/mol×K | 875.12 | Joback Calculated Property |
| Cp,gas | 1404.57 | J/mol×K | 907.97 | Joback Calculated Property |
| Cp,gas | 1420.88 | J/mol×K | 940.81 | Joback Calculated Property |
| Cp,gas | 1436.47 | J/mol×K | 973.65 | Joback Calculated Property |
| Cp,gas | 1451.50 | J/mol×K | 1006.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, hexadecyl ester.
Sources
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