- InChI
- InChI=1S/C13H6F10O4/c14-10(15,12(18,19)20)8(24)26-5-6-1-3-7(4-2-6)27-9(25)11(16,17)13(21,22)23/h1-4H,5H2
- InChI Key
- HAJJZNHPEPOLSY-UHFFFAOYSA-N
- Formula
- C13H6F10O4
- SMILES
-
O=C(OCc1ccc(OC(=O)C(F)(F)C(F)(
F)F)cc1)C(F)(F)C(F)(F)F - Molecular Weight1
- 416.17
- 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 | 0.7015 | Relay (... Calculated Property | |
| ΔfG° | -2243.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2696.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.79 | kJ/mol | Relay (... Calculated Property |
| IE | 9.58 | eV | Relay (... Calculated Property |
| log10WS | -6.11 | Relay (... Calculated Property | |
| logPoct/wat | 4.030 | Crippen Calculated Property | |
| McVol | 202.850 | ml/mol | McGowan Calculated Property |
| Pc | 1690.72 | kPa | Joback Calculated Property |
| Inp | 1212.00 | NIST | |
| Tboil | 494.72 | K | Relay (... Calculated Property |
| Tc | 669.68 | K | Relay (... Calculated Property |
| Tfus | 299.58 | K | Relay (... Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.03; 630.59] | J/mol×K | [660.86; 833.53] | 
|
| Cp,gas | 580.03 | J/mol×K | 660.86 | Joback Calculated Property |
| Cp,gas | 590.34 | J/mol×K | 689.64 | Joback Calculated Property |
| Cp,gas | 599.82 | J/mol×K | 718.42 | Joback Calculated Property |
| Cp,gas | 608.53 | J/mol×K | 747.20 | Joback Calculated Property |
| Cp,gas | 616.53 | J/mol×K | 775.97 | Joback Calculated Property |
| Cp,gas | 623.87 | J/mol×K | 804.75 | Joback Calculated Property |
| Cp,gas | 630.59 | J/mol×K | 833.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxybenzyl alcohol, bis(pentafluoropropionate).
Sources
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