- InChI
- InChI=1S/C18H7F15O2/c19-12(20,11(34)35-10-6-5-8-3-1-2-4-9(8)7-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-7H
- InChI Key
- BTKBLUGSWYMAIB-UHFFFAOYSA-N
- Formula
- C18H7F15O2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)C(F)(F)C(F
)(F)C(F)(F)C(F)(F)C(F)(F)C(F)( F)C(F)(F)F - Molecular Weight1
- 540.22
- 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 | 0.7513 | Relay (1.0) Calculated Property | |
| ΔfG° | -2826.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3364.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.119 | Crippen Calculated Property | |
| McVol | 255.250 | ml/mol | McGowan Calculated Property |
| Pc | 1204.80 | kPa | Joback Calculated Property |
| Inp | [1607.00; 1607.00] |
|
|
| Inp | 1607.00 | NIST | |
| Inp | 1607.00 | NIST | |
| Tboil | 608.67 | K | Relay (1.0) Calculated Property |
| Tc | 787.27 | K | Relay (1.0) Calculated Property |
| Tfus | 349.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.995 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.25; 832.51] | J/mol×K | [704.61; 876.59] |
|
| Cp,gas | 780.25 | J/mol×K | 704.61 | Joback Calculated Property |
| Cp,gas | 791.04 | J/mol×K | 733.27 | Joback Calculated Property |
| Cp,gas | 800.84 | J/mol×K | 761.94 | Joback Calculated Property |
| Cp,gas | 809.77 | J/mol×K | 790.60 | Joback Calculated Property |
| Cp,gas | 817.95 | J/mol×K | 819.26 | Joback Calculated Property |
| Cp,gas | 825.49 | J/mol×K | 847.92 | Joback Calculated Property |
| Cp,gas | 832.51 | J/mol×K | 876.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, naphth-2-yl ester.
Sources
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