- InChI
- InChI=1S/C32H49F5O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-23-40-26(38)21-18-15-12-13-16-19-22-27(39)41-24-25-28(33)30(35)32(37)31(36)29(25)34/h2-24H2,1H3
- InChI Key
- PLEBVBHDFXDRSM-UHFFFAOYSA-N
- Formula
- C32H49F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
(=O)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 592.72
- 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 | 1.4744 | Relay (1.0) Calculated Property | |
| ΔfG° | -1159.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1852.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 91.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.181 | Crippen Calculated Property | |
| McVol | 461.710 | ml/mol | McGowan Calculated Property |
| Pc | 575.91 | kPa | Joback Calculated Property |
| Inp | [3604.00; 3604.00] |
|
|
| Inp | 3604.00 | NIST | |
| Inp | 3604.00 | NIST | |
| Tboil | 713.26 | K | Relay (1.0) Calculated Property |
| Tc | 877.65 | K | Relay (1.0) Calculated Property |
| Tfus | 339.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.755 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1652.03; 1720.21] | J/mol×K | [1132.07; 1470.93] |
|
| Cp,gas | 1652.03 | J/mol×K | 1132.07 | Joback Calculated Property |
| Cp,gas | 1672.76 | J/mol×K | 1188.55 | Joback Calculated Property |
| Cp,gas | 1689.50 | J/mol×K | 1245.02 | Joback Calculated Property |
| Cp,gas | 1702.43 | J/mol×K | 1301.50 | Joback Calculated Property |
| Cp,gas | 1711.74 | J/mol×K | 1357.97 | Joback Calculated Property |
| Cp,gas | 1717.60 | J/mol×K | 1414.45 | Joback Calculated Property |
| Cp,gas | 1720.21 | J/mol×K | 1470.93 | Joback Calculated Property |
Similar Compounds
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Sources
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