- InChI
- InChI=1S/C15H13F17O2/c1-2-3-4-5-6-34-7(33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-6H2,1H3
- InChI Key
- RWRPYGWVGLTHTD-UHFFFAOYSA-N
- Formula
- C15H13F17O2
- SMILES
-
CCCCCCOC(=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
- 548.24
- 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 | 0.7813 | Relay (1.0) Calculated Property | |
| ΔfG° | -3447.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4039.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.119 | Crippen Calculated Property | |
| McVol | 259.740 | ml/mol | McGowan Calculated Property |
| Pc | 961.48 | kPa | Joback Calculated Property |
| Inp | 1161.00 | NIST | |
| Tboil | 503.49 | K | Relay (1.0) Calculated Property |
| Tc | 617.26 | K | Relay (1.0) Calculated Property |
| Tfus | 289.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.054 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.15; 848.74] | J/mol×K | [580.64; 716.04] | 
|
| Cp,gas | 778.15 | J/mol×K | 580.64 | Joback Calculated Property |
| Cp,gas | 792.07 | J/mol×K | 603.21 | Joback Calculated Property |
| Cp,gas | 805.05 | J/mol×K | 625.77 | Joback Calculated Property |
| Cp,gas | 817.16 | J/mol×K | 648.34 | Joback Calculated Property |
| Cp,gas | 828.44 | J/mol×K | 670.90 | Joback Calculated Property |
| Cp,gas | 838.95 | J/mol×K | 693.47 | Joback Calculated Property |
| Cp,gas | 848.74 | J/mol×K | 716.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, hexyl ester.
Sources
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