- InChI
- InChI=1S/C16H16ClF15O2/c17-7-5-3-1-2-4-6-8-34-9(33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)32/h1-8H2
- InChI Key
- SJEQZDCUDPWWAO-UHFFFAOYSA-N
- Formula
- C16H16ClF15O2
- SMILES
-
O=C(OCCCCCCCCCl)C(F)(F)C(F)(F)
C(F)(F)C(F)(F)C(F)(F)C(F)(F)C( F)(F)F - Molecular Weight1
- 560.73
- 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 | 0.8690 | Relay (... Calculated Property | |
| ΔfG° | -3064.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3683.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.39 | kJ/mol | Relay (... Calculated Property |
| IE | 10.71 | eV | Relay (... Calculated Property |
| log10WS | -8.65 | Relay (... Calculated Property | |
| logPoct/wat | 7.483 | Crippen Calculated Property | |
| McVol | 282.530 | ml/mol | McGowan Calculated Property |
| Pc | 925.55 | kPa | Joback Calculated Property |
| Inp | [1551.00; 1551.00] |
|
|
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Tboil | 536.78 | K | Relay (... Calculated Property |
| Tc | 665.75 | K | Relay (... Calculated Property |
| Tfus | 302.16 | K | Relay (... Calculated Property |
| Vc | 1.107 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.65; 914.61] | J/mol×K | [645.64; 793.13] |
|
| Cp,gas | 846.65 | J/mol×K | 645.64 | Joback Calculated Property |
| Cp,gas | 860.05 | J/mol×K | 670.22 | Joback Calculated Property |
| Cp,gas | 872.53 | J/mol×K | 694.80 | Joback Calculated Property |
| Cp,gas | 884.16 | J/mol×K | 719.39 | Joback Calculated Property |
| Cp,gas | 895.01 | J/mol×K | 743.97 | Joback Calculated Property |
| Cp,gas | 905.14 | J/mol×K | 768.55 | Joback Calculated Property |
| Cp,gas | 914.61 | J/mol×K | 793.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecafluorooctanoic acid, 8-chlorooctyl ester.
Sources
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