- InChI
- InChI=1S/C16H17F15O2/c1-3-5-6-8(4-2)7-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8H,3-7H2,1-2H3
- InChI Key
- LRNRQNCWHBHJOC-UHFFFAOYSA-N
- Formula
- C16H17F15O2
- SMILES
-
CCCCC(CC)COC(=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
- 526.28
- 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 | 0.7619 | Relay (1.0) Calculated Property | |
| ΔfG° | -3054.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3687.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.120 | Crippen Calculated Property | |
| McVol | 270.290 | ml/mol | McGowan Calculated Property |
| Pc | 951.42 | kPa | Joback Calculated Property |
| Inp | [1145.00; 1145.00] |
|
|
| Inp | 1145.00 | NIST | |
| Inp | 1145.00 | NIST | |
| Tboil | 514.01 | K | Relay (1.0) Calculated Property |
| Tc | 621.16 | K | Relay (1.0) Calculated Property |
| Tfus | 251.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.057 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.21; 887.70] | J/mol×K | [607.77; 749.27] |
|
| Cp,gas | 813.21 | J/mol×K | 607.77 | Joback Calculated Property |
| Cp,gas | 827.77 | J/mol×K | 631.35 | Joback Calculated Property |
| Cp,gas | 841.40 | J/mol×K | 654.94 | Joback Calculated Property |
| Cp,gas | 854.15 | J/mol×K | 678.52 | Joback Calculated Property |
| Cp,gas | 866.08 | J/mol×K | 702.10 | Joback Calculated Property |
| Cp,gas | 877.25 | J/mol×K | 725.69 | Joback Calculated Property |
| Cp,gas | 887.70 | J/mol×K | 749.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, 2-ethylhexyl ester.
Sources
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