- InChI
- InChI=1S/C24H21F9O6/c1-21-7-6-13-12-5-3-11(37-18(34)22(25,26)27)8-10(12)2-4-14(13)15(21)9-16(38-19(35)23(28,29)30)17(21)39-20(36)24(31,32)33/h3,5,8,13-17H,2,4,6-7,9H2,1H3
- InChI Key
- WWJXNFAAIBBBGC-UHFFFAOYSA-N
- Formula
- C24H21F9O6
- SMILES
-
CC12CCC3c4ccc(OC(=O)C(F)(F)F)c
c4CCC3C1CC(OC(=O)C(F)(F)F)C2OC (=O)C(F)(F)F - Molecular Weight1
- 576.41
- 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° | -2072.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2690.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.85 | kJ/mol | Joback Calculated Property |
| log10WS | -7.27 | Crippen Calculated Property | |
| logPoct/wat | 5.568 | Crippen Calculated Property | |
| McVol | 330.930 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | 2457.10 | NIST | |
| Tboil | 1012.76 | K | Joback Calculated Property |
| Tc | 1239.90 | K | Joback Calculated Property |
| Tfus | 698.71 | K | Joback Calculated Property |
| Vc | 1.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1199.91; 1320.00] | J/mol×K | [1012.76; 1239.90] | 
|
| Cp,gas | 1199.91 | J/mol×K | 1012.76 | Joback Calculated Property |
| Cp,gas | 1218.65 | J/mol×K | 1050.62 | Joback Calculated Property |
| Cp,gas | 1237.57 | J/mol×K | 1088.47 | Joback Calculated Property |
| Cp,gas | 1256.91 | J/mol×K | 1126.33 | Joback Calculated Property |
| Cp,gas | 1276.93 | J/mol×K | 1164.19 | Joback Calculated Property |
| Cp,gas | 1297.87 | J/mol×K | 1202.05 | Joback Calculated Property |
| Cp,gas | 1320.00 | J/mol×K | 1239.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16-Epiestriol, tris(trifluoroacetate).
Sources
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