- InChI
- InChI=1S/C12H3F21O2/c1-35-2(34)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H3
- InChI Key
- CJFAZQXPXXDAQR-UHFFFAOYSA-N
- Formula
- C12H3F21O2
- 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)F - Molecular Weight1
- 578.12
- 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 | 0.6731 | Relay (1.0) Calculated Property | |
| ΔfG° | -4246.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4726.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.439 | Crippen Calculated Property | |
| McVol | 224.550 | ml/mol | McGowan Calculated Property |
| Pc | 1054.83 | kPa | Joback Calculated Property |
| Inp | 682.00 | NIST | |
| Tboil | 472.46 | K | Relay (1.0) Calculated Property |
| Tc | 601.66 | K | Relay (1.0) Calculated Property |
| Tfus | 332.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [661.61; 727.25] | J/mol×K | [502.62; 625.21] | 
|
| Cp,gas | 661.61 | J/mol×K | 502.62 | Joback Calculated Property |
| Cp,gas | 674.78 | J/mol×K | 523.05 | Joback Calculated Property |
| Cp,gas | 687.00 | J/mol×K | 543.48 | Joback Calculated Property |
| Cp,gas | 698.30 | J/mol×K | 563.91 | Joback Calculated Property |
| Cp,gas | 708.75 | J/mol×K | 584.35 | Joback Calculated Property |
| Cp,gas | 718.38 | J/mol×K | 604.78 | Joback Calculated Property |
| Cp,gas | 727.25 | J/mol×K | 625.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl perfluoroundecanoate.
Sources
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