- InChI
- InChI=1S/C34H32F18O16/c1-10-5-7-12(8-6-10)28(3,4)68-21-19(67-27(58)34(50,51)52)17(65-25(56)32(44,45)46)15(63-23(54)30(38,39)40)13(61-21)9-59-20-18(66-26(57)33(47,48)49)16(64-24(55)31(41,42)43)14(11(2)60-20)62-22(53)29(35,36)37/h5,11-21H,6-9H2,1-4H3/t11-,12?,13+,14-,15+,16+,17-,18+,19+,20+,21-/m1/s1
- InChI Key
- PHHGLMDXBUCCCT-KLCWCDKESA-N
- Formula
- C34H32F18O16
- SMILES
-
CC1=CCC(C(C)(C)OC2OC(COC3OC(C)
C(OC(=O)C(F)(F)F)C(OC(=O)C(F)( F)F)C3OC(=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)CC1 - Molecular Weight1
- 1038.58
- 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 | 1.1690 | Relay (... Calculated Property | |
| ΔfG° | -5005.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6364.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 107.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.75 | kJ/mol | Relay (... Calculated Property |
| IE | 10.07 | eV | Relay (... Calculated Property |
| log10WS | -9.18 | Relay (... Calculated Property | |
| logPoct/wat | 5.859 | Crippen Calculated Property | |
| McVol | 553.020 | ml/mol | McGowan Calculated Property |
| Pc | 480.29 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2251.00] |
|
|
| Inp | 2251.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 744.27 | K | Relay (... Calculated Property |
| Tc | 895.71 | K | Relay (... Calculated Property |
| Tfus | 397.59 | K | Relay (... Calculated Property |
| Vc | 2.075 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1109.28; 1957.84] | J/mol×K | [1523.48; 2343.17] |
|
| Cp,gas | 1957.84 | J/mol×K | 1523.48 | Joback Calculated Property |
| Cp,gas | 1865.28 | J/mol×K | 1660.10 | Joback Calculated Property |
| Cp,gas | 1747.67 | J/mol×K | 1796.71 | Joback Calculated Property |
| Cp,gas | 1609.13 | J/mol×K | 1933.33 | Joback Calculated Property |
| Cp,gas | 1453.80 | J/mol×K | 2069.94 | Joback Calculated Property |
| Cp,gas | 1285.81 | J/mol×K | 2206.56 | Joback Calculated Property |
| Cp,gas | 1109.28 | J/mol×K | 2343.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Terpineol, rutinoside, TFA.
Sources
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