- InChI
- InChI=1S/C12H4F20O2/c1-34-3(33)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2(13)14/h2H,1H3
- InChI Key
- LUTHBMLZCJUWOF-UHFFFAOYSA-N
- Formula
- C12H4F20O2
- SMILES
-
COC(=O)C(F)(F)C(F)(F)C(F)(F)C(
F)(F)C(F)(F)C(F)(F)C(F)(F)C(F) (F)C(F)(F)C(F)F - Molecular Weight1
- 560.13
- 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 | 0.6775 | Relay (1.0) Calculated Property | |
| ΔfG° | -4056.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4477.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.142 | Crippen Calculated Property | |
| McVol | 222.780 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | 800.00 | NIST | |
| Tboil | 487.46 | K | Relay (1.0) Calculated Property |
| Tc | 632.84 | K | Relay (1.0) Calculated Property |
| Tfus | 352.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.27; 716.80] | J/mol×K | [506.14; 629.84] | 
|
| Cp,gas | 651.27 | J/mol×K | 506.14 | Joback Calculated Property |
| Cp,gas | 664.32 | J/mol×K | 526.76 | Joback Calculated Property |
| Cp,gas | 676.47 | J/mol×K | 547.37 | Joback Calculated Property |
| Cp,gas | 687.74 | J/mol×K | 567.99 | Joback Calculated Property |
| Cp,gas | 698.19 | J/mol×K | 588.60 | Joback Calculated Property |
| Cp,gas | 707.87 | J/mol×K | 609.22 | Joback Calculated Property |
| Cp,gas | 716.80 | J/mol×K | 629.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 11H-perfluoroundecanoate.
Sources
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