- InChI
- InChI=1S/C15H8F12O11/c1-34-7(29)4(28)6(38-11(33)15(25,26)27)5(37-10(32)14(22,23)24)3(36-9(31)13(19,20)21)2-35-8(30)12(16,17)18/h3,5-6H,2H2,1H3
- InChI Key
- ODXLNIXRVBTRPN-UHFFFAOYSA-N
- Formula
- C15H8F12O11
- SMILES
-
COC(=O)C(=O)C(OC(=O)C(F)(F)F)C
(OC(=O)C(F)(F)F)C(COC(=O)C(F)( F)F)OC(=O)C(F)(F)F - Molecular Weight1
- 592.20
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -3556.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4093.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 1.256 | Crippen Calculated Property | |
| McVol | 282.220 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | 1236.80 | NIST | |
| Tboil | 954.92 | K | Joback Calculated Property |
| Tc | 1176.49 | K | Joback Calculated Property |
| Tfus | 641.30 | K | Joback Calculated Property |
| Vc | 1.155 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.59; 925.43] | J/mol×K | [954.92; 1176.49] | 
|
| Cp,gas | 904.59 | J/mol×K | 954.92 | Joback Calculated Property |
| Cp,gas | 910.91 | J/mol×K | 991.85 | Joback Calculated Property |
| Cp,gas | 916.02 | J/mol×K | 1028.78 | Joback Calculated Property |
| Cp,gas | 919.96 | J/mol×K | 1065.71 | Joback Calculated Property |
| Cp,gas | 922.81 | J/mol×K | 1102.64 | Joback Calculated Property |
| Cp,gas | 924.61 | J/mol×K | 1139.57 | Joback Calculated Property |
| Cp,gas | 925.43 | J/mol×K | 1176.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ketogluconic acid methyl ester, tetrakis(trifluoroacetate) (isomer 3).
Sources
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