- InChI
- InChI=1S/C18H21F15O2/c1-2-3-4-5-6-7-8-9-10-35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h2-10H2,1H3
- InChI Key
- TXLCFHCFSWGLHL-UHFFFAOYSA-N
- Formula
- C18H21F15O2
- SMILES
-
CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)
C(F)(F)C(F)(F)C(F)(F)C(F)(F)C( F)(F)F - Molecular Weight1
- 554.33
- 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 | 0.8940 | Relay (... Calculated Property | |
| ΔfG° | -3035.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3716.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.75 | kJ/mol | Relay (... Calculated Property |
| IE | 10.48 | eV | Relay (... Calculated Property |
| log10WS | -8.91 | Relay (... Calculated Property | |
| logPoct/wat | 8.044 | Crippen Calculated Property | |
| McVol | 298.470 | ml/mol | McGowan Calculated Property |
| Pc | 844.07 | kPa | Joback Calculated Property |
| Inp | [1468.00; 1468.00] |
|
|
| Inp | 1468.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Tboil | 537.41 | K | Relay (... Calculated Property |
| Tc | 644.30 | K | Relay (... Calculated Property |
| Tfus | 290.57 | K | Relay (... Calculated Property |
| Vc | 1.184 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [922.74; 1000.68] | J/mol×K | [653.97; 801.53] |
|
| Cp,gas | 922.74 | J/mol×K | 653.97 | Joback Calculated Property |
| Cp,gas | 937.92 | J/mol×K | 678.56 | Joback Calculated Property |
| Cp,gas | 952.14 | J/mol×K | 703.16 | Joback Calculated Property |
| Cp,gas | 965.45 | J/mol×K | 727.75 | Joback Calculated Property |
| Cp,gas | 977.94 | J/mol×K | 752.34 | Joback Calculated Property |
| Cp,gas | 989.66 | J/mol×K | 776.94 | Joback Calculated Property |
| Cp,gas | 1000.68 | J/mol×K | 801.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, decyl ester.
Sources
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