- InChI
- InChI=1S/C24H24F12O10/c1-5-20(4,8-6-7-10(2)3)46-15-14(45-19(40)24(34,35)36)13(44-18(39)23(31,32)33)12(43-17(38)22(28,29)30)11(42-15)9-41-16(37)21(25,26)27/h5,7,11-15H,1,6,8-9H2,2-4H3
- InChI Key
- PXNCKBQISHIDRF-UHFFFAOYSA-N
- Formula
- C24H24F12O10
- SMILES
-
C=CC(C)(CCC=C(C)C)OC1OC(COC(=O
)C(F)(F)F)C(OC(=O)C(F)(F)F)C(O C(=O)C(F)(F)F)C1OC(=O)C(F)(F)F - Molecular Weight1
- 700.42
- Other Names
-
- ( S)-linalyl «beta»-D-glucopyranoside, TFA
- 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° | -3146.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3973.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.84 | kJ/mol | Joback Calculated Property |
| log10WS | -6.91 | Crippen Calculated Property | |
| logPoct/wat | 4.947 | Crippen Calculated Property | |
| McVol | 392.300 | ml/mol | McGowan Calculated Property |
| Pc | 755.99 | kPa | Joback Calculated Property |
| Inp | 1799.00 | NIST | |
| Tboil | 1079.73 | K | Joback Calculated Property |
| Tc | 1353.82 | K | Joback Calculated Property |
| Tfus | 686.48 | K | Joback Calculated Property |
| Vc | 1.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1394.39; 1431.63] | J/mol×K | [1079.73; 1353.82] | 
|
| Cp,gas | 1394.39 | J/mol×K | 1079.73 | Joback Calculated Property |
| Cp,gas | 1405.11 | J/mol×K | 1125.41 | Joback Calculated Property |
| Cp,gas | 1413.75 | J/mol×K | 1171.09 | Joback Calculated Property |
| Cp,gas | 1420.53 | J/mol×K | 1216.78 | Joback Calculated Property |
| Cp,gas | 1425.64 | J/mol×K | 1262.46 | Joback Calculated Property |
| Cp,gas | 1429.27 | J/mol×K | 1308.14 | Joback Calculated Property |
| Cp,gas | 1431.63 | J/mol×K | 1353.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-LInalool, B-D-Glu, TFA.
Sources
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