- InChI
- InChI=1S/C27H33F3O4/c1-2-3-4-5-6-7-8-9-10-13-18-33-26(31)20-14-11-12-15-21(20)27(32)34-19-22-23(28)16-17-24(29)25(22)30/h11-12,14-17H,2-10,13,18-19H2,1H3
- InChI Key
- DGPAGXNNNBIMCV-UHFFFAOYSA-N
- Formula
- C27H33F3O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCc1c(F)ccc(F)c1F - Molecular Weight1
- 478.54
- 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° | -689.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1251.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.76 | kJ/mol | Joback Calculated Property |
| log10WS | -9.67 | Crippen Calculated Property | |
| logPoct/wat | 7.539 | Crippen Calculated Property | |
| McVol | 363.960 | ml/mol | McGowan Calculated Property |
| Pc | 946.16 | kPa | Joback Calculated Property |
| Inp | [3118.00; 3118.00] |
|
|
| Inp | 3118.00 | NIST | |
| Inp | 3118.00 | NIST | |
| Tboil | 1040.83 | K | Joback Calculated Property |
| Tc | 1276.33 | K | Joback Calculated Property |
| Tfus | 643.06 | K | Joback Calculated Property |
| Vc | 1.433 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1215.51; 1274.43] | J/mol×K | [1040.83; 1276.33] |
|
| Cp,gas | 1215.51 | J/mol×K | 1040.83 | Joback Calculated Property |
| Cp,gas | 1229.32 | J/mol×K | 1080.08 | Joback Calculated Property |
| Cp,gas | 1241.45 | J/mol×K | 1119.33 | Joback Calculated Property |
| Cp,gas | 1251.98 | J/mol×K | 1158.58 | Joback Calculated Property |
| Cp,gas | 1260.95 | J/mol×K | 1197.83 | Joback Calculated Property |
| Cp,gas | 1268.41 | J/mol×K | 1237.08 | Joback Calculated Property |
| Cp,gas | 1274.43 | J/mol×K | 1276.33 | Joback Calculated Property |
Similar Compounds
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Sources
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