- InChI
- InChI=1S/C18H3F21O6/c19-10(20,13(25,26)16(31,32)33)7(40)43-4-2-1-3-5(44-8(41)11(21,22)14(27,28)17(34,35)36)6(4)45-9(42)12(23,24)15(29,30)18(37,38)39/h1-3H
- InChI Key
- BMHRHYIOFOAWDO-UHFFFAOYSA-N
- Formula
- C18H3F21O6
- SMILES
-
O=C(Oc1cccc(OC(=O)C(F)(F)C(F)(
F)C(F)(F)F)c1OC(=O)C(F)(F)C(F) (F)C(F)(F)F)C(F)(F)C(F)(F)C(F) (F)F - Molecular Weight1
- 714.18
- 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 | 0.9755 | Relay (... Calculated Property | |
| ΔfG° | -4573.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5236.54 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.98 | kJ/mol | Relay (... Calculated Property |
| IE | 10.29 | eV | Relay (... Calculated Property |
| log10WS | -9.84 | Relay (... Calculated Property | |
| logPoct/wat | 6.902 | Crippen Calculated Property | |
| McVol | 300.210 | ml/mol | McGowan Calculated Property |
| Pc | 928.94 | kPa | Joback Calculated Property |
| Inp | [1240.00; 1240.00] |
|
|
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Tboil | 547.02 | K | Relay (... Calculated Property |
| Tc | 701.59 | K | Relay (... Calculated Property |
| Tfus | 370.26 | K | Relay (... Calculated Property |
| Vc | 1.201 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [972.82; 1011.19] | J/mol×K | [832.35; 1021.32] |
|
| Cp,gas | 972.82 | J/mol×K | 832.35 | Joback Calculated Property |
| Cp,gas | 980.76 | J/mol×K | 863.85 | Joback Calculated Property |
| Cp,gas | 987.89 | J/mol×K | 895.34 | Joback Calculated Property |
| Cp,gas | 994.36 | J/mol×K | 926.84 | Joback Calculated Property |
| Cp,gas | 1000.31 | J/mol×K | 958.33 | Joback Calculated Property |
| Cp,gas | 1005.87 | J/mol×K | 989.83 | Joback Calculated Property |
| Cp,gas | 1011.19 | J/mol×K | 1021.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pyrogallol, tris(heptafluorobutyrate).
Sources
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