- InChI
- InChI=1S/C24H18F12O11/c1-3-4-9-5-6-10(11(7-9)41-2)43-16-15(47-20(40)24(34,35)36)14(46-19(39)23(31,32)33)13(45-18(38)22(28,29)30)12(44-16)8-42-17(37)21(25,26)27/h3,5-7,12-16H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m0/s1
- InChI Key
- OXPQPWKLKWTOPR-QMHWVQJVSA-N
- Formula
- C24H18F12O11
- SMILES
-
C=CCc1ccc(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(OC)c1 - Molecular Weight1
- 710.37
- Other Names
-
- Eugenol, Gly, TFA
- 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 | 0.9891 | Relay (1.0) Calculated Property | |
| ΔfG° | -3232.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4112.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.055 | Crippen Calculated Property | |
| McVol | 378.710 | ml/mol | McGowan Calculated Property |
| Pc | 850.48 | kPa | Joback Calculated Property |
| Inp | [2032.00; 2046.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2032.00 | NIST | |
| Inp | 2039.00 | NIST | |
| Inp | 2039.00 | NIST | |
| Inp | 2032.00 | NIST | |
| Tboil | 670.48 | K | Relay (1.0) Calculated Property |
| Tc | 835.02 | K | Relay (1.0) Calculated Property |
| Tfus | 379.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1289.37; 1321.83] | J/mol×K | [1137.98; 1429.86] |
|
| Cp,gas | 1319.17 | J/mol×K | 1137.98 | Joback Calculated Property |
| Cp,gas | 1321.83 | J/mol×K | 1186.63 | Joback Calculated Property |
| Cp,gas | 1321.30 | J/mol×K | 1235.27 | Joback Calculated Property |
| Cp,gas | 1317.69 | J/mol×K | 1283.92 | Joback Calculated Property |
| Cp,gas | 1311.10 | J/mol×K | 1332.57 | Joback Calculated Property |
| Cp,gas | 1301.63 | J/mol×K | 1381.21 | Joback Calculated Property |
| Cp,gas | 1289.37 | J/mol×K | 1429.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eugenol, «beta»-D-glucopyranoside, TFA.
Sources
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