- InChI
- InChI=1S/C26H35F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-45-18(44)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h2-17H2,1H3
- InChI Key
- DVJOQNDJNBTMOW-UHFFFAOYSA-N
- Formula
- C26H35F17O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=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
- 702.53
- 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 | 1.1917 | Relay (1.0) Calculated Property | |
| ΔfG° | -3354.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4260.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.410 | Crippen Calculated Property | |
| McVol | 414.730 | ml/mol | McGowan Calculated Property |
| Pc | 545.64 | kPa | Joback Calculated Property |
| Inp | 2106.00 | NIST | |
| Tboil | 625.69 | K | Relay (1.0) Calculated Property |
| Tc | 710.69 | K | Relay (1.0) Calculated Property |
| Tfus | 324.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.633 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1410.51; 1519.34] | J/mol×K | [832.32; 1040.90] | 
|
| Cp,gas | 1410.51 | J/mol×K | 832.32 | Joback Calculated Property |
| Cp,gas | 1431.27 | J/mol×K | 867.08 | Joback Calculated Property |
| Cp,gas | 1450.68 | J/mol×K | 901.85 | Joback Calculated Property |
| Cp,gas | 1468.97 | J/mol×K | 936.61 | Joback Calculated Property |
| Cp,gas | 1486.35 | J/mol×K | 971.37 | Joback Calculated Property |
| Cp,gas | 1503.07 | J/mol×K | 1006.13 | Joback Calculated Property |
| Cp,gas | 1519.34 | J/mol×K | 1040.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, heptadecyl ester.
Sources
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