- InChI
- InChI=1S/C27H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-35-21(33)16-13-12-14-17-22(34)36-19-20-23(28)25(30)27(32)26(31)24(20)29/h2-19H2,1H3
- InChI Key
- SXRCUHKVEGFNHR-UHFFFAOYSA-N
- Formula
- C27H39F5O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
Cc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 522.59
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2949 | Relay (1.0) Calculated Property | |
| ΔfG° | -1201.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1759.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.230 | Crippen Calculated Property | |
| McVol | 391.260 | ml/mol | McGowan Calculated Property |
| Pc | 735.62 | kPa | Joback Calculated Property |
| Inp | [3093.00; 3093.00] |
|
|
| Inp | 3093.00 | NIST | |
| Inp | 3093.00 | NIST | |
| Tboil | 677.08 | K | Relay (1.0) Calculated Property |
| Tc | 842.56 | K | Relay (1.0) Calculated Property |
| Tfus | 329.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1337.16; 1413.69] | J/mol×K | [1017.67; 1269.31] |
|
| Cp,gas | 1337.16 | J/mol×K | 1017.67 | Joback Calculated Property |
| Cp,gas | 1355.11 | J/mol×K | 1059.61 | Joback Calculated Property |
| Cp,gas | 1370.92 | J/mol×K | 1101.55 | Joback Calculated Property |
| Cp,gas | 1384.63 | J/mol×K | 1143.49 | Joback Calculated Property |
| Cp,gas | 1396.30 | J/mol×K | 1185.43 | Joback Calculated Property |
| Cp,gas | 1405.97 | J/mol×K | 1227.37 | Joback Calculated Property |
| Cp,gas | 1413.69 | J/mol×K | 1269.31 | Joback Calculated Property |
Similar Compounds
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Sources
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