- InChI
- InChI=1S/C12H13F11O2/c1-2-3-4-5-6-25-7(24)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-6H2,1H3
- InChI Key
- TXJKATBVTOHLTD-UHFFFAOYSA-N
- Formula
- C12H13F11O2
- SMILES
-
CCCCCCOC(=O)C(F)(F)C(F)(F)C(F)
(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 398.21
- Other Names
-
- Hexyl perfluorohexanoate
- 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 | 0.6669 | Relay (... Calculated Property | |
| ΔfG° | -2312.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2807.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.97 | kJ/mol | Relay (... Calculated Property |
| IE | 10.58 | eV | Relay (... Calculated Property |
| log10WS | -6.44 | Relay (... Calculated Property | |
| logPoct/wat | 5.213 | Crippen Calculated Property | |
| McVol | 206.850 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [1030.00; 1030.50] |
|
|
| Inp | 1030.00 | NIST | |
| Inp | 1030.50 | NIST | |
| Inp | 1030.00 | NIST | |
| Tboil | 458.24 | K | Relay (... Calculated Property |
| Tc | 575.70 | K | Relay (... Calculated Property |
| Tfus | 234.48 | K | Relay (... Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.75; 637.73] | J/mol×K | [526.07; 665.85] |
|
| Cp,gas | 567.75 | J/mol×K | 526.07 | Joback Calculated Property |
| Cp,gas | 581.28 | J/mol×K | 549.37 | Joback Calculated Property |
| Cp,gas | 594.01 | J/mol×K | 572.66 | Joback Calculated Property |
| Cp,gas | 605.99 | J/mol×K | 595.96 | Joback Calculated Property |
| Cp,gas | 617.24 | J/mol×K | 619.26 | Joback Calculated Property |
| Cp,gas | 627.81 | J/mol×K | 642.55 | Joback Calculated Property |
| Cp,gas | 637.73 | J/mol×K | 665.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid hexyl ester.
Sources
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