- InChI
- InChI=1S/C20H7F9O6/c21-18(22,23)15(30)33-10-5-1-3-8-7-9-4-2-6-11(34-16(31)19(24,25)26)13(9)14(12(8)10)35-17(32)20(27,28)29/h1-7H
- InChI Key
- CEUXARQAGXSIAX-UHFFFAOYSA-N
- Formula
- C20H7F9O6
- SMILES
-
O=C(Oc1cccc2cc3cccc(OC(=O)C(F)
(F)F)c3c(OC(=O)C(F)(F)F)c12)C( F)(F)F - Molecular Weight1
- 514.25
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -2041.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2408.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.01 | Crippen Calculated Property | |
| logPoct/wat | 5.396 | Crippen Calculated Property | |
| McVol | 268.230 | ml/mol | McGowan Calculated Property |
| Pc | 1494.19 | kPa | Joback Calculated Property |
| Inp | 2150.00 | NIST | |
| Tboil | 954.17 | K | Joback Calculated Property |
| Tc | 1170.53 | K | Joback Calculated Property |
| Tfus | 686.11 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [819.45; 861.03] | J/mol×K | [954.17; 1170.53] | 
|
| Cp,gas | 819.45 | J/mol×K | 954.17 | Joback Calculated Property |
| Cp,gas | 827.43 | J/mol×K | 990.23 | Joback Calculated Property |
| Cp,gas | 834.84 | J/mol×K | 1026.29 | Joback Calculated Property |
| Cp,gas | 841.80 | J/mol×K | 1062.35 | Joback Calculated Property |
| Cp,gas | 848.41 | J/mol×K | 1098.41 | Joback Calculated Property |
| Cp,gas | 854.78 | J/mol×K | 1134.47 | Joback Calculated Property |
| Cp,gas | 861.03 | J/mol×K | 1170.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anthralin, O,O',O''-tri(trifluoroacetyl)-.
Sources
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