- InChI
- InChI=1S/C12H6F14O4/c13-7(14,9(17,18)11(21,22)23)5(27)29-3-1-2-4-30-6(28)8(15,16)10(19,20)12(24,25)26/h1-2H,3-4H2/b2-1+
- InChI Key
- VMCQJLHZMCISBF-OWOJBTEDSA-N
- Formula
- C12H6F14O4
- SMILES
-
O=C(OCC=CCOC(=O)C(F)(F)C(F)(F)
C(F)(F)F)C(F)(F)C(F)(F)C(F)(F) F - Molecular Weight1
- 480.15
- 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 | 0.6675 | Relay (1.0) Calculated Property | |
| ΔfG° | -3047.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3619.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.295 | Crippen Calculated Property | |
| McVol | 215.300 | ml/mol | McGowan Calculated Property |
| Pc | 1330.04 | kPa | Joback Calculated Property |
| Inp | 1046.00 | NIST | |
| Tboil | 459.99 | K | Relay (1.0) Calculated Property |
| Tc | 585.24 | K | Relay (1.0) Calculated Property |
| Tfus | 286.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.828 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.52; 680.09] | J/mol×K | [601.10; 747.75] | 
|
| Cp,gas | 627.52 | J/mol×K | 601.10 | Joback Calculated Property |
| Cp,gas | 638.09 | J/mol×K | 625.54 | Joback Calculated Property |
| Cp,gas | 647.87 | J/mol×K | 649.98 | Joback Calculated Property |
| Cp,gas | 656.91 | J/mol×K | 674.42 | Joback Calculated Property |
| Cp,gas | 665.26 | J/mol×K | 698.87 | Joback Calculated Property |
| Cp,gas | 672.97 | J/mol×K | 723.31 | Joback Calculated Property |
| Cp,gas | 680.09 | J/mol×K | 747.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-diol, bis(heptafluorobutyrate).
Sources
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