- InChI
- InChI=1S/C7H6F6O4/c1-3(17-5(15)7(11,12)13)2-16-4(14)6(8,9)10/h3H,2H2,1H3
- InChI Key
- SRUSTRDCGNYRRA-UHFFFAOYSA-N
- Formula
- C7H6F6O4
- SMILES
-
CC(COC(=O)C(F)(F)F)OC(=O)C(F)(
F)F - Molecular Weight1
- 268.11
- CAS
- 7556-83-4
- 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 | 0.5024 | Relay (... Calculated Property | |
| ΔfG° | -1625.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1977.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.88 | kJ/mol | Relay (... Calculated Property |
| IE | 11.33 | eV | Relay (... Calculated Property |
| log10WS | -2.13 | Relay (... Calculated Property | |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 134.990 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | [815.00; 815.00] |
|
|
| Inp | 815.00 | NIST | |
| Inp | 815.00 | NIST | |
| Tboil | 393.80 | K | Relay (... Calculated Property |
| Tc | 535.76 | K | Relay (... Calculated Property |
| Tfus | 273.11 | K | Relay (... Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.30; 384.62] | J/mol×K | [500.86; 661.19] |
|
| Cp,gas | 335.30 | J/mol×K | 500.86 | Joback Calculated Property |
| Cp,gas | 344.72 | J/mol×K | 527.58 | Joback Calculated Property |
| Cp,gas | 353.65 | J/mol×K | 554.30 | Joback Calculated Property |
| Cp,gas | 362.09 | J/mol×K | 581.02 | Joback Calculated Property |
| Cp,gas | 370.05 | J/mol×K | 607.75 | Joback Calculated Property |
| Cp,gas | 377.56 | J/mol×K | 634.47 | Joback Calculated Property |
| Cp,gas | 384.62 | J/mol×K | 661.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Propanediol, bis(trifluoroacetate).
Sources
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