- InChI
- InChI=1S/C13H13F13O2/c1-2-3-4-5-6-28-7(27)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-6H2,1H3
- InChI Key
- QKPNKAOZGCFPBZ-UHFFFAOYSA-N
- Formula
- C13H13F13O2
- SMILES
-
CCCCCCOC(=O)C(F)(F)C(F)(F)C(F)
(F)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 448.22
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptanoic acid hexyl ester
- 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 | 0.7055 | Relay (... Calculated Property | |
| ΔfG° | -2690.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3219.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.47 | kJ/mol | Relay (... Calculated Property |
| IE | 10.58 | eV | Relay (... Calculated Property |
| log10WS | -7.13 | Relay (... Calculated Property | |
| logPoct/wat | 5.849 | Crippen Calculated Property | |
| McVol | 224.480 | ml/mol | McGowan Calculated Property |
| Pc | 1196.48 | kPa | Joback Calculated Property |
| Inp | [1085.00; 1085.30] |
|
|
| Inp | 1085.00 | NIST | |
| Inp | 1085.30 | NIST | |
| Tboil | 474.23 | K | Relay (... Calculated Property |
| Tc | 591.52 | K | Relay (... Calculated Property |
| Tfus | 252.95 | K | Relay (... Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.79; 707.17] | J/mol×K | [544.26; 681.44] |
|
| Cp,gas | 636.79 | J/mol×K | 544.26 | Joback Calculated Property |
| Cp,gas | 650.48 | J/mol×K | 567.12 | Joback Calculated Property |
| Cp,gas | 663.34 | J/mol×K | 589.99 | Joback Calculated Property |
| Cp,gas | 675.39 | J/mol×K | 612.85 | Joback Calculated Property |
| Cp,gas | 686.68 | J/mol×K | 635.71 | Joback Calculated Property |
| Cp,gas | 697.26 | J/mol×K | 658.58 | Joback Calculated Property |
| Cp,gas | 707.17 | J/mol×K | 681.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl perfluoroheptanoate.
Sources
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