- InChI
- InChI=1S/C4H4F6O2/c1-12-2(11,3(5,6)7)4(8,9)10/h11H,1H3
- InChI Key
- FEKJGFZZVNCSRO-UHFFFAOYSA-N
- Formula
- C4H4F6O2
- SMILES
- COC(O)(C(F)(F)F)C(F)(F)F
- Molecular Weight1
- 198.06
- CAS
- 662-16-8
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.4773 | Relay (1.0) Calculated Property | |
| ΔfG° | -1419.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1506.00 | kJ/mol | NIST |
| ΔfH°liquid | -1579.00 | kJ/mol | NIST |
| ΔfusH° | 7.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.80 ± 0.80 | kJ/mol | NIST |
| IE | 11.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.446 | Crippen Calculated Property | |
| McVol | 89.580 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 353.51 | K | Relay (1.0) Calculated Property |
| Tc | 510.41 | K | Relay (1.0) Calculated Property |
| Tfus | 226.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.354 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.47; 251.36] | J/mol×K | [391.45; 534.59] | 
|
| Cp,gas | 210.47 | J/mol×K | 391.45 | Joback Calculated Property |
| Cp,gas | 218.44 | J/mol×K | 415.31 | Joback Calculated Property |
| Cp,gas | 225.91 | J/mol×K | 439.16 | Joback Calculated Property |
| Cp,gas | 232.93 | J/mol×K | 463.02 | Joback Calculated Property |
| Cp,gas | 239.49 | J/mol×K | 486.88 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 510.73 | Joback Calculated Property |
| Cp,gas | 251.36 | J/mol×K | 534.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1,3,3,3-Hexafluoro-2-methoxy-2-propanol.
Sources
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