- InChI
- InChI=1S/C12H8F6O4/c13-11(14,15)9(19)21-6-5-7-1-3-8(4-2-7)22-10(20)12(16,17)18/h1-4H,5-6H2
- InChI Key
- POXBHGCPRHUJSJ-UHFFFAOYSA-N
- Formula
- C12H8F6O4
- SMILES
-
O=C(OCCc1ccc(OC(=O)C(F)(F)F)cc
1)C(F)(F)F - Molecular Weight1
- 330.18
- 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 | 0.6564 | Relay (... Calculated Property | |
| ΔfG° | -1478.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1822.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.87 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -4.03 | Relay (... Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 181.680 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | 1288.00 | NIST | |
| Tboil | 503.05 | K | Relay (... Calculated Property |
| Tc | 682.40 | K | Relay (... Calculated Property |
| Tfus | 292.72 | K | Relay (... Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.43; 546.14] | J/mol×K | [647.36; 830.71] | 
|
| Cp,gas | 491.43 | J/mol×K | 647.36 | Joback Calculated Property |
| Cp,gas | 502.34 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 512.49 | J/mol×K | 708.48 | Joback Calculated Property |
| Cp,gas | 521.91 | J/mol×K | 739.03 | Joback Calculated Property |
| Cp,gas | 530.64 | J/mol×K | 769.59 | Joback Calculated Property |
| Cp,gas | 538.71 | J/mol×K | 800.15 | Joback Calculated Property |
| Cp,gas | 546.14 | J/mol×K | 830.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxyphenethyl alcohol, bis(trifluoroacetate).
Sources
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