- InChI
- InChI=1S/C31H47F5O4/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-39-25(37)20-17-14-11-12-15-18-21-26(38)40-23-24-27(32)29(34)31(36)30(35)28(24)33/h2-23H2,1H3
- InChI Key
- LLZLRACQBUCWMU-UHFFFAOYSA-N
- Formula
- C31H47F5O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(
=O)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 578.69
- 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° | -1167.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1974.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 89.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.41 | kJ/mol | Joback Calculated Property |
| log10WS | -11.78 | Crippen Calculated Property | |
| logPoct/wat | 9.790 | Crippen Calculated Property | |
| McVol | 447.620 | ml/mol | McGowan Calculated Property |
| Pc | 603.39 | kPa | Joback Calculated Property |
| Inp | [3483.00; 3483.00] |
|
|
| Inp | 3483.00 | NIST | |
| Inp | 3483.00 | NIST | |
| Tboil | 1109.19 | K | Joback Calculated Property |
| Tc | 1426.64 | K | Joback Calculated Property |
| Tfus | 675.42 | K | Joback Calculated Property |
| Vc | 1.802 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1588.67; 1659.98] | J/mol×K | [1109.19; 1426.64] |
|
| Cp,gas | 1588.67 | J/mol×K | 1109.19 | Joback Calculated Property |
| Cp,gas | 1608.86 | J/mol×K | 1162.10 | Joback Calculated Property |
| Cp,gas | 1625.54 | J/mol×K | 1215.01 | Joback Calculated Property |
| Cp,gas | 1638.85 | J/mol×K | 1267.92 | Joback Calculated Property |
| Cp,gas | 1648.93 | J/mol×K | 1320.82 | Joback Calculated Property |
| Cp,gas | 1655.93 | J/mol×K | 1373.73 | Joback Calculated Property |
| Cp,gas | 1659.98 | J/mol×K | 1426.64 | Joback Calculated Property |
Similar Compounds
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Sources
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