- InChI
- InChI=1S/C34H47F3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-40-32(38)29-23-18-19-24-30(29)33(39)41-27-28-22-17-20-25-31(28)34(35,36)37/h17-20,22-25H,2-16,21,26-27H2,1H3
- InChI Key
- ACDCGMNQLUXNGR-UHFFFAOYSA-N
- Formula
- C34H47F3O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1C(=O)OCc1ccccc1C(F)(F)F - Molecular Weight1
- 576.73
- 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° | -608.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1381.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.72 | kJ/mol | Joback Calculated Property |
| log10WS | -12.29 | Crippen Calculated Property | |
| logPoct/wat | 10.481 | Crippen Calculated Property | |
| McVol | 462.590 | ml/mol | McGowan Calculated Property |
| Pc | 666.32 | kPa | Joback Calculated Property |
| Inp | [3616.00; 3616.00] |
|
|
| Inp | 3616.00 | NIST | |
| Inp | 3616.00 | NIST | |
| Tboil | 1187.80 | K | Joback Calculated Property |
| Tc | 1492.19 | K | Joback Calculated Property |
| Tfus | 699.33 | K | Joback Calculated Property |
| Vc | 1.815 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1654.76; 1734.38] | J/mol×K | [1187.80; 1492.19] |
|
| Cp,gas | 1654.76 | J/mol×K | 1187.80 | Joback Calculated Property |
| Cp,gas | 1672.17 | J/mol×K | 1238.53 | Joback Calculated Property |
| Cp,gas | 1687.56 | J/mol×K | 1289.26 | Joback Calculated Property |
| Cp,gas | 1701.20 | J/mol×K | 1339.99 | Joback Calculated Property |
| Cp,gas | 1713.36 | J/mol×K | 1390.72 | Joback Calculated Property |
| Cp,gas | 1724.33 | J/mol×K | 1441.46 | Joback Calculated Property |
| Cp,gas | 1734.38 | J/mol×K | 1492.19 | Joback Calculated Property |
Similar Compounds
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Sources
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