- InChI
- InChI=1S/C18H6F18O12/c19-13(20,21)7(37)43-1-2(44-8(38)14(22,23)24)4(46-10(40)16(28,29)30)6(48-12(42)18(34,35)36)5(47-11(41)17(31,32)33)3(1)45-9(39)15(25,26)27/h1-6H
- InChI Key
- KPMWXWRNPLWNBQ-UHFFFAOYSA-N
- Formula
- C18H6F18O12
- SMILES
-
O=C(OC1C(OC(=O)C(F)(F)F)C(OC(=
O)C(F)(F)F)C(OC(=O)C(F)(F)F)C( OC(=O)C(F)(F)F)C1OC(=O)C(F)(F) F)C(F)(F)F - Molecular Weight1
- 756.20
- 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° | -4806.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5513.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 330.120 | ml/mol | McGowan Calculated Property |
| Pc | 903.97 | kPa | Joback Calculated Property |
| Inp | [1097.40; 1097.40] |
|
|
| Inp | 1097.40 | NIST | |
| Inp | 1097.40 | NIST | |
| Tboil | 1032.66 | K | Joback Calculated Property |
| Tc | 1304.91 | K | Joback Calculated Property |
| Tfus | 736.90 | K | Joback Calculated Property |
| Vc | 1.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1146.05; 1159.26] | J/mol×K | [1032.66; 1304.91] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1146 1148 1150 1152 1154 1156 1158 1160 1100 1200 1300 | ||||
| Cp,gas | 1152.44 | J/mol×K | 1032.66 | Joback Calculated Property |
| Cp,gas | 1157.07 | J/mol×K | 1078.03 | Joback Calculated Property |
| Cp,gas | 1159.26 | J/mol×K | 1123.41 | Joback Calculated Property |
| Cp,gas | 1159.13 | J/mol×K | 1168.78 | Joback Calculated Property |
| Cp,gas | 1156.80 | J/mol×K | 1214.16 | Joback Calculated Property |
| Cp,gas | 1152.40 | J/mol×K | 1259.53 | Joback Calculated Property |
| Cp,gas | 1146.05 | J/mol×K | 1304.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to myo-Inositol, hexakis(trifluoroacetate).
Sources
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