- InChI
- InChI=1S/C15H13F17O2/c1-6(2)4-3-5-34-7(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/h6H,3-5H2,1-2H3
- InChI Key
- LSPPKAMVPYAKFJ-UHFFFAOYSA-N
- Formula
- C15H13F17O2
- SMILES
-
CC(C)CCCOC(=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 | 0.7494 | Relay (1.0) Calculated Property | |
| ΔfG° | -3449.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4061.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.975 | Crippen Calculated Property | |
| McVol | 259.740 | ml/mol | McGowan Calculated Property |
| Pc | 966.27 | kPa | Joback Calculated Property |
| Inp | [1129.00; 1129.00] |
|
|
| Inp | 1129.00 | NIST | |
| Inp | 1129.00 | NIST | |
| Tboil | 502.14 | K | Relay (1.0) Calculated Property |
| Tc | 618.41 | K | Relay (1.0) Calculated Property |
| Tfus | 295.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.047 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [778.45; 849.68] | J/mol×K | [580.20; 716.53] |
|
| Cp,gas | 778.45 | J/mol×K | 580.20 | Joback Calculated Property |
| Cp,gas | 792.51 | J/mol×K | 602.92 | Joback Calculated Property |
| Cp,gas | 805.63 | J/mol×K | 625.64 | Joback Calculated Property |
| Cp,gas | 817.85 | J/mol×K | 648.37 | Joback Calculated Property |
| Cp,gas | 829.23 | J/mol×K | 671.09 | Joback Calculated Property |
| Cp,gas | 839.82 | J/mol×K | 693.81 | Joback Calculated Property |
| Cp,gas | 849.68 | J/mol×K | 716.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecafluorononanoic acid, isohexyl ester.
Sources
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