- InChI
- InChI=1S/C24H24F12O10/c1-9-4-6-10(7-5-9)20(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)8-41-16(37)21(25,26)27/h4,10-15H,5-8H2,1-3H3
- InChI Key
- DMNHAEJEIAAJSG-UHFFFAOYSA-N
- Formula
- C24H24F12O10
- SMILES
-
CC1=CCC(C(C)(C)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)CC 1 - Molecular Weight1
- 700.42
- Other Names
-
- «alpha»-terpineyl «beta»-D-glucopyranoside, TFA
- «alpha»-Terpineol, B-D-Glu, 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° | -3260.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4105.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.85 | kJ/mol | Joback Calculated Property |
| log10WS | -6.71 | Crippen Calculated Property | |
| logPoct/wat | 4.781 | Crippen Calculated Property | |
| McVol | 385.740 | ml/mol | McGowan Calculated Property |
| Pc | 811.68 | kPa | Joback Calculated Property |
| Inp | [1918.00; 1946.00] |
|
|
| Inp | 1918.00 | NIST | |
| Inp | 1946.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1946.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1918.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Tboil | 1102.70 | K | Joback Calculated Property |
| Tc | 1372.98 | K | Joback Calculated Property |
| Tfus | 727.94 | K | Joback Calculated Property |
| Vc | 1.524 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1407.62; 1422.67] | J/mol×K | [1102.70; 1372.98] |
|
| Cp,gas | 1407.62 | J/mol×K | 1102.70 | Joback Calculated Property |
| Cp,gas | 1415.08 | J/mol×K | 1147.75 | Joback Calculated Property |
| Cp,gas | 1419.98 | J/mol×K | 1192.79 | Joback Calculated Property |
| Cp,gas | 1422.46 | J/mol×K | 1237.84 | Joback Calculated Property |
| Cp,gas | 1422.67 | J/mol×K | 1282.89 | Joback Calculated Property |
| Cp,gas | 1420.75 | J/mol×K | 1327.94 | Joback Calculated Property |
| Cp,gas | 1416.86 | J/mol×K | 1372.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Terpineol, «beta»-D-glucopyranoside, TFA.
Sources
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