- InChI
- InChI=1S/C18H18F6O12/c1-5(25)31-9-10(32-6(2)26)12(34-8(4)28)14(36-16(30)18(22,23)24)13(11(9)33-7(3)27)35-15(29)17(19,20)21/h9-14H,1-4H3
- InChI Key
- UZOWQPZKDVUDFC-UHFFFAOYSA-N
- Formula
- C18H18F6O12
- SMILES
-
CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C
(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F )F)C1OC(C)=O - Molecular Weight1
- 540.32
- 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 | 0.8602 | Relay (1.0) Calculated Property | |
| ΔfG° | -2480.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3436.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.675 | Crippen Calculated Property | |
| McVol | 308.880 | ml/mol | McGowan Calculated Property |
| Pc | 1220.85 | kPa | Joback Calculated Property |
| Inp | 1627.60 | NIST | |
| Tboil | 584.69 | K | Relay (1.0) Calculated Property |
| Tc | 750.29 | K | Relay (1.0) Calculated Property |
| Tfus | 366.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.132 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1049.22; 1072.51] | J/mol×K | [1054.34; 1295.77] | 
|
| Cp,gas | 1066.86 | J/mol×K | 1054.34 | Joback Calculated Property |
| Cp,gas | 1071.08 | J/mol×K | 1094.58 | Joback Calculated Property |
| Cp,gas | 1072.51 | J/mol×K | 1134.82 | Joback Calculated Property |
| Cp,gas | 1071.09 | J/mol×K | 1175.05 | Joback Calculated Property |
| Cp,gas | 1066.77 | J/mol×K | 1215.29 | Joback Calculated Property |
| Cp,gas | 1059.50 | J/mol×K | 1255.53 | Joback Calculated Property |
| Cp,gas | 1049.22 | J/mol×K | 1295.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to myo-Inositol 3,4,5,6-tetraacetate, bis(trifluoroacetate) (isomer 1).
Sources
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