- InChI
- InChI=1S/C8H7F3O4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5/h1-2,4-6H,3H2
- InChI Key
- FLRHIPSTQQZNJR-UHFFFAOYSA-N
- Formula
- C8H7F3O4
- SMILES
- O=C(OC1COC2C=COC21)C(F)(F)F
- Molecular Weight1
- 224.13
- 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).
- 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 | 0.3832 | Relay (1.0) Calculated Property | |
| ΔfG° | -851.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1165.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.772 | Crippen Calculated Property | |
| McVol | 122.050 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 460.20 | K | Relay (1.0) Calculated Property |
| Tc | 634.98 | K | Relay (1.0) Calculated Property |
| Tfus | 329.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.475 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.96; 386.87] | J/mol×K | [523.72; 723.65] | 
|
| Cp,gas | 320.96 | J/mol×K | 523.72 | Joback Calculated Property |
| Cp,gas | 334.06 | J/mol×K | 557.04 | Joback Calculated Property |
| Cp,gas | 346.26 | J/mol×K | 590.36 | Joback Calculated Property |
| Cp,gas | 357.59 | J/mol×K | 623.68 | Joback Calculated Property |
| Cp,gas | 368.11 | J/mol×K | 657.01 | Joback Calculated Property |
| Cp,gas | 377.85 | J/mol×K | 690.33 | Joback Calculated Property |
| Cp,gas | 386.87 | J/mol×K | 723.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4:3,6-dianhydro-5-deoxy-2-O-(trifluoroacetyl)-D-xylo-hex-5-enitol.
Sources
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