- InChI
- InChI=1S/C32H51F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38-30(36)32(5-2,6-3)31(37)39-25-26-23-28(34)29(35)24-27(26)33/h23-24H,4-22,25H2,1-3H3
- InChI Key
- AXHOPYGNZDQCEQ-UHFFFAOYSA-N
- Formula
- C32H51F3O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OCc1cc(F)c(F)cc1F - Molecular Weight1
- 556.74
- 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° | -747.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1588.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.65 | kJ/mol | Joback Calculated Property |
| log10WS | -11.29 | Crippen Calculated Property | |
| logPoct/wat | 9.758 | Crippen Calculated Property | |
| McVol | 458.170 | ml/mol | McGowan Calculated Property |
| Pc | 616.34 | kPa | Joback Calculated Property |
| Inp | 3175.00 | NIST | |
| Tboil | 1120.34 | K | Joback Calculated Property |
| Tc | 1416.56 | K | Joback Calculated Property |
| Tfus | 662.89 | K | Joback Calculated Property |
| Vc | 1.810 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1642.44; 1732.03] | J/mol×K | [1120.34; 1416.56] | 
|
| Cp,gas | 1642.44 | J/mol×K | 1120.34 | Joback Calculated Property |
| Cp,gas | 1663.05 | J/mol×K | 1169.71 | Joback Calculated Property |
| Cp,gas | 1681.11 | J/mol×K | 1219.08 | Joback Calculated Property |
| Cp,gas | 1696.84 | J/mol×K | 1268.45 | Joback Calculated Property |
| Cp,gas | 1710.43 | J/mol×K | 1317.82 | Joback Calculated Property |
| Cp,gas | 1722.10 | J/mol×K | 1367.19 | Joback Calculated Property |
| Cp,gas | 1732.03 | J/mol×K | 1416.56 | Joback Calculated Property |
Similar Compounds
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Sources
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