- InChI
- InChI=1S/C14H13F15O2/c1-2-3-4-5-6-31-7(30)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-6H2,1H3
- InChI Key
- KHELVFSKTOQOCW-UHFFFAOYSA-N
- Formula
- C14H13F15O2
- SMILES
-
CCCCCCOC(=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
- 498.23
- 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 | 0.7434 | Relay (1.0) Calculated Property | |
| ΔfG° | -3069.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3630.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.484 | Crippen Calculated Property | |
| McVol | 242.110 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | [1116.00; 1116.00] |
|
|
| Inp | 1116.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Tboil | 489.01 | K | Relay (1.0) Calculated Property |
| Tc | 605.71 | K | Relay (1.0) Calculated Property |
| Tfus | 271.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.973 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.99; 777.52] | J/mol×K | [562.45; 698.15] |
|
| Cp,gas | 706.99 | J/mol×K | 562.45 | Joback Calculated Property |
| Cp,gas | 720.80 | J/mol×K | 585.07 | Joback Calculated Property |
| Cp,gas | 733.72 | J/mol×K | 607.68 | Joback Calculated Property |
| Cp,gas | 745.81 | J/mol×K | 630.30 | Joback Calculated Property |
| Cp,gas | 757.11 | J/mol×K | 652.91 | Joback Calculated Property |
| Cp,gas | 767.66 | J/mol×K | 675.53 | Joback Calculated Property |
| Cp,gas | 777.52 | J/mol×K | 698.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, hexyl ester.
Sources
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