- InChI
- InChI=1S/C11H11F11O2/c1-2-3-4-5-24-6(23)7(12,13)8(14,15)9(16,17)10(18,19)11(20,21)22/h2-5H2,1H3
- InChI Key
- HFOZGAUKNAKOOE-UHFFFAOYSA-N
- Formula
- C11H11F11O2
- SMILES
-
CCCCCOC(=O)C(F)(F)C(F)(F)C(F)(
F)C(F)(F)C(F)(F)F - Molecular Weight1
- 384.19
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid pentyl 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 | 0.6292 | Relay (1.0) Calculated Property | |
| ΔfG° | -2320.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2788.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.823 | Crippen Calculated Property | |
| McVol | 192.760 | ml/mol | McGowan Calculated Property |
| Pc | 1447.94 | kPa | Joback Calculated Property |
| Inp | [935.60; 936.00] |
|
|
| Inp | 936.00 | NIST | |
| Inp | 935.60 | NIST | |
| Tboil | 443.44 | K | Relay (1.0) Calculated Property |
| Tc | 562.90 | K | Relay (1.0) Calculated Property |
| Tfus | 230.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.01; 586.84] | J/mol×K | [503.19; 642.20] |
|
| Cp,gas | 519.01 | J/mol×K | 503.19 | Joback Calculated Property |
| Cp,gas | 532.16 | J/mol×K | 526.36 | Joback Calculated Property |
| Cp,gas | 544.52 | J/mol×K | 549.53 | Joback Calculated Property |
| Cp,gas | 556.14 | J/mol×K | 572.70 | Joback Calculated Property |
| Cp,gas | 567.04 | J/mol×K | 595.87 | Joback Calculated Property |
| Cp,gas | 577.26 | J/mol×K | 619.03 | Joback Calculated Property |
| Cp,gas | 586.84 | J/mol×K | 642.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentyl perfluorohexanoate.
Sources
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