- InChI
- InChI=1S/C24H31F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-43-16(42)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)41/h2-15H2,1H3
- InChI Key
- BUUFCZIMZJKDPL-UHFFFAOYSA-N
- Formula
- C24H31F17O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=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
- 674.47
- 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° | -3371.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4187.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.92 | kJ/mol | Joback Calculated Property |
| log10WS | -11.59 | Crippen Calculated Property | |
| logPoct/wat | 10.630 | Crippen Calculated Property | |
| McVol | 386.550 | ml/mol | McGowan Calculated Property |
| Pc | 598.09 | kPa | Joback Calculated Property |
| Inp | 1928.00 | NIST | |
| Tboil | 786.56 | K | Joback Calculated Property |
| Tc | 973.34 | K | Joback Calculated Property |
| Tfus | 461.79 | K | Joback Calculated Property |
| Vc | 1.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1288.82; 1385.33] | J/mol×K | [786.56; 973.34] | 
|
| Cp,gas | 1288.82 | J/mol×K | 786.56 | Joback Calculated Property |
| Cp,gas | 1307.50 | J/mol×K | 817.69 | Joback Calculated Property |
| Cp,gas | 1324.92 | J/mol×K | 848.82 | Joback Calculated Property |
| Cp,gas | 1341.26 | J/mol×K | 879.95 | Joback Calculated Property |
| Cp,gas | 1356.67 | J/mol×K | 911.08 | Joback Calculated Property |
| Cp,gas | 1371.30 | J/mol×K | 942.21 | Joback Calculated Property |
| Cp,gas | 1385.33 | J/mol×K | 973.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, pentadecyl ester.
Sources
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