- InChI
- InChI=1S/C14H8F10O5/c1-27-8-4-6(5-28-9(25)11(15,16)13(19,20)21)2-3-7(8)29-10(26)12(17,18)14(22,23)24/h2-4H,5H2,1H3
- InChI Key
- HOZIBWFRJMPDFN-UHFFFAOYSA-N
- Formula
- C14H8F10O5
- SMILES
-
COc1cc(COC(=O)C(F)(F)C(F)(F)F)
ccc1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 446.19
- 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 | 0.7836 | Relay (1.0) Calculated Property | |
| ΔfG° | -2349.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2845.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.039 | Crippen Calculated Property | |
| McVol | 222.810 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Inp | 1357.00 | NIST | |
| Tboil | 518.19 | K | Relay (1.0) Calculated Property |
| Tc | 695.03 | K | Relay (1.0) Calculated Property |
| Tfus | 313.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.849 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.84; 705.63] | J/mol×K | [711.14; 885.68] | 
|
| Cp,gas | 654.84 | J/mol×K | 711.14 | Joback Calculated Property |
| Cp,gas | 665.14 | J/mol×K | 740.23 | Joback Calculated Property |
| Cp,gas | 674.65 | J/mol×K | 769.32 | Joback Calculated Property |
| Cp,gas | 683.41 | J/mol×K | 798.41 | Joback Calculated Property |
| Cp,gas | 691.46 | J/mol×K | 827.50 | Joback Calculated Property |
| Cp,gas | 698.85 | J/mol×K | 856.59 | Joback Calculated Property |
| Cp,gas | 705.63 | J/mol×K | 885.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-3-methoxybenzyl alcohol, bis(pentafluoropropionate).
Sources
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