- InChI
- InChI=1S/C15H7F15O2/c1-6-3-2-4-7(5-6)32-8(31)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,1H3
- InChI Key
- LNYMAXSBBHLYDT-UHFFFAOYSA-N
- Formula
- C15H7F15O2
- SMILES
-
Cc1cccc(OC(=O)C(F)(F)C(F)(F)C(
F)(F)C(F)(F)C(F)(F)C(F)(F)C(F) (F)F)c1 - Molecular Weight1
- 504.19
- 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 | 0.6957 | Relay (1.0) Calculated Property | |
| ΔfG° | -2957.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3458.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.275 | Crippen Calculated Property | |
| McVol | 232.440 | ml/mol | McGowan Calculated Property |
| Pc | 1241.58 | kPa | Joback Calculated Property |
| Inp | [1218.00; 1218.00] |
|
|
| Inp | 1218.00 | NIST | |
| Inp | 1218.00 | NIST | |
| Tboil | 524.70 | K | Relay (1.0) Calculated Property |
| Tc | 685.33 | K | Relay (1.0) Calculated Property |
| Tfus | 307.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.918 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.37; 746.56] | J/mol×K | [616.99; 773.62] |
|
| Cp,gas | 687.37 | J/mol×K | 616.99 | Joback Calculated Property |
| Cp,gas | 699.52 | J/mol×K | 643.09 | Joback Calculated Property |
| Cp,gas | 710.65 | J/mol×K | 669.20 | Joback Calculated Property |
| Cp,gas | 720.85 | J/mol×K | 695.30 | Joback Calculated Property |
| Cp,gas | 730.19 | J/mol×K | 721.41 | Joback Calculated Property |
| Cp,gas | 738.73 | J/mol×K | 747.51 | Joback Calculated Property |
| Cp,gas | 746.56 | J/mol×K | 773.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, 3-methylphenyl ester.
Sources
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