- InChI
- InChI=1S/C27H39F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-35-25(33)27(5-2,6-3)26(34)36-18-19-20(28)22(30)24(32)23(31)21(19)29/h4-18H2,1-3H3
- InChI Key
- DPADUJMSLSQPAS-UHFFFAOYSA-N
- Formula
- C27H39F5O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 522.59
- 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° | -1198.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1900.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.21 | kJ/mol | Joback Calculated Property |
| log10WS | -9.86 | Crippen Calculated Property | |
| logPoct/wat | 8.086 | Crippen Calculated Property | |
| McVol | 391.260 | ml/mol | McGowan Calculated Property |
| Pc | 743.26 | kPa | Joback Calculated Property |
| Inp | [2645.00; 2645.00] |
|
|
| Inp | 2645.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Tboil | 1014.44 | K | Joback Calculated Property |
| Tc | 1257.63 | K | Joback Calculated Property |
| Tfus | 632.76 | K | Joback Calculated Property |
| Vc | 1.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1337.14; 1416.81] | J/mol×K | [1014.44; 1257.63] |
|
| Cp,gas | 1337.14 | J/mol×K | 1014.44 | Joback Calculated Property |
| Cp,gas | 1354.73 | J/mol×K | 1054.97 | Joback Calculated Property |
| Cp,gas | 1370.51 | J/mol×K | 1095.50 | Joback Calculated Property |
| Cp,gas | 1384.53 | J/mol×K | 1136.04 | Joback Calculated Property |
| Cp,gas | 1396.87 | J/mol×K | 1176.57 | Joback Calculated Property |
| Cp,gas | 1407.61 | J/mol×K | 1217.10 | Joback Calculated Property |
| Cp,gas | 1416.81 | J/mol×K | 1257.63 | Joback Calculated Property |
Similar Compounds
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Sources
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