- InChI
- InChI=1S/C12H6F12O8/c13-9(14,15)5(25)29-1-3(31-7(27)11(19,20)21)4(32-8(28)12(22,23)24)2-30-6(26)10(16,17)18/h3-4H,1-2H2
- InChI Key
- SIWZLDBXSQMWPJ-UHFFFAOYSA-N
- Formula
- C12H6F12O8
- SMILES
-
O=C(OCC(OC(=O)C(F)(F)F)C(COC(=
O)C(F)(F)F)OC(=O)C(F)(F)F)C(F) (F)F - Molecular Weight1
- 506.15
- CAS
- 27088-70-6
- Other Names
-
- Erythritol, tetrakis(trifluoroacetate)
- meso-Erythritol, tetrakis(trifluoroacetate)
- 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 | 0.7706 | Relay (1.0) Calculated Property | |
| ΔfG° | -3216.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3765.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.146 | Crippen Calculated Property | |
| McVol | 230.940 | ml/mol | McGowan Calculated Property |
| Pc | 1441.35 | kPa | Joback Calculated Property |
| Inp | 992.10 | NIST | |
| Tboil | 470.34 | K | Relay (1.0) Calculated Property |
| Tc | 608.76 | K | Relay (1.0) Calculated Property |
| Tfus | 348.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.26; 749.54] | J/mol×K | [756.56; 927.46] | 
|
| Cp,gas | 708.26 | J/mol×K | 756.56 | Joback Calculated Property |
| Cp,gas | 716.89 | J/mol×K | 785.04 | Joback Calculated Property |
| Cp,gas | 724.78 | J/mol×K | 813.53 | Joback Calculated Property |
| Cp,gas | 731.96 | J/mol×K | 842.01 | Joback Calculated Property |
| Cp,gas | 738.46 | J/mol×K | 870.49 | Joback Calculated Property |
| Cp,gas | 744.31 | J/mol×K | 898.97 | Joback Calculated Property |
| Cp,gas | 749.54 | J/mol×K | 927.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Erythritol, tetrakis(trifluoroacetate), meso-.
Sources
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