- InChI
- InChI=1S/C16H8F14O5/c1-33-8-4-6(5-34-9(31)11(17,18)13(21,22)15(25,26)27)2-3-7(8)35-10(32)12(19,20)14(23,24)16(28,29)30/h2-4H,5H2,1H3
- InChI Key
- TVNQTECLNYCNDM-UHFFFAOYSA-N
- Formula
- C16H8F14O5
- SMILES
-
COc1cc(COC(=O)C(F)(F)C(F)(F)C(
F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F )C(F)(F)F - Molecular Weight1
- 546.21
- 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 | 0.8614 | Relay (... Calculated Property | |
| ΔfG° | -3106.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3676.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | Relay (... Calculated Property |
| log10WS | -7.47 | Relay (... Calculated Property | |
| logPoct/wat | 5.310 | Crippen Calculated Property | |
| McVol | 258.070 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | 1426.00 | NIST | |
| Tboil | 542.38 | K | Relay (... Calculated Property |
| Tc | 706.81 | K | Relay (... Calculated Property |
| Tfus | 328.82 | K | Relay (... Calculated Property |
| Vc | 0.998 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.50; 845.53] | J/mol×K | [747.52; 919.23] | 
|
| Cp,gas | 796.50 | J/mol×K | 747.52 | Joback Calculated Property |
| Cp,gas | 806.53 | J/mol×K | 776.14 | Joback Calculated Property |
| Cp,gas | 815.74 | J/mol×K | 804.76 | Joback Calculated Property |
| Cp,gas | 824.17 | J/mol×K | 833.37 | Joback Calculated Property |
| Cp,gas | 831.90 | J/mol×K | 861.99 | Joback Calculated Property |
| Cp,gas | 839.00 | J/mol×K | 890.61 | Joback Calculated Property |
| Cp,gas | 845.53 | J/mol×K | 919.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-3-methoxybenzyl alcohol, bis(heptafluorobutyrate).
Sources
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