- InChI
- InChI=1S/C10H9F11O2/c1-2-3-4-23-5(22)6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h2-4H2,1H3
- InChI Key
- LISFREFGRFFOEH-UHFFFAOYSA-N
- Formula
- C10H9F11O2
- SMILES
-
CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F
)C(F)(F)C(F)(F)F - Molecular Weight1
- 370.16
- Other Names
-
- 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid butyl 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 | 0.5907 | Relay (1.0) Calculated Property | |
| ΔfG° | -2329.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2769.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.433 | Crippen Calculated Property | |
| McVol | 178.670 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [842.00; 842.20] |
|
|
| Inp | 842.00 | NIST | |
| Inp | 842.20 | NIST | |
| Tboil | 428.57 | K | Relay (1.0) Calculated Property |
| Tc | 548.06 | K | Relay (1.0) Calculated Property |
| Tfus | 221.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.73; 537.27] | J/mol×K | [480.31; 618.73] |
|
| Cp,gas | 471.73 | J/mol×K | 480.31 | Joback Calculated Property |
| Cp,gas | 484.48 | J/mol×K | 503.38 | Joback Calculated Property |
| Cp,gas | 496.45 | J/mol×K | 526.45 | Joback Calculated Property |
| Cp,gas | 507.68 | J/mol×K | 549.52 | Joback Calculated Property |
| Cp,gas | 518.20 | J/mol×K | 572.59 | Joback Calculated Property |
| Cp,gas | 528.05 | J/mol×K | 595.66 | Joback Calculated Property |
| Cp,gas | 537.27 | J/mol×K | 618.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyl perfluorohexanoate.
Sources
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