- InChI
- InChI=1S/C24H24F12O11/c1-5-20(4)7-6-10(19(2,3)47-20)43-14-13(46-18(40)24(34,35)36)12(45-17(39)23(31,32)33)11(44-16(38)22(28,29)30)9(42-14)8-41-15(37)21(25,26)27/h5,9-14H,1,6-8H2,2-4H3/t9-,10+,11-,12+,13-,14+,20+/m0/s1
- InChI Key
- LPTRVPJKVCENCW-DPGMLDRLSA-N
- Formula
- C24H24F12O11
- SMILES
-
C=CC1(C)CCC(OC2OC(COC(=O)C(F)(
F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C (F)(F)F)C2OC(=O)C(F)(F)F)C(C)( C)O1 - Molecular Weight1
- 716.42
- 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° | -3308.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4159.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| McVol | 391.610 | ml/mol | McGowan Calculated Property |
| Pc | 819.60 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| Tboil | 1116.56 | K | Joback Calculated Property |
| Tc | 1391.56 | K | Joback Calculated Property |
| Tfus | 776.37 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1499.95; 1687.81] | J/mol×K | [1116.56; 1391.56] | 
|
| Cp,gas | 1499.95 | J/mol×K | 1116.56 | Joback Calculated Property |
| Cp,gas | 1527.25 | J/mol×K | 1162.39 | Joback Calculated Property |
| Cp,gas | 1555.56 | J/mol×K | 1208.23 | Joback Calculated Property |
| Cp,gas | 1585.33 | J/mol×K | 1254.06 | Joback Calculated Property |
| Cp,gas | 1617.00 | J/mol×K | 1299.89 | Joback Calculated Property |
| Cp,gas | 1651.02 | J/mol×K | 1345.72 | Joback Calculated Property |
| Cp,gas | 1687.81 | J/mol×K | 1391.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Linalool oxide (pyranoid), trans, «beta»-D-glucopyranoside, TFA.
Sources
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