- InChI
- InChI=1S/C30H38F4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-37-29(35)23-17-14-15-18-24(23)30(36)38-21-22-20-25(31)27(33)28(34)26(22)32/h14-15,17-18,20H,2-13,16,19,21H2,1H3
- InChI Key
- UFYLVOLVGISCIO-UHFFFAOYSA-N
- Formula
- C30H38F4O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
(=O)OCc1cc(F)c(F)c(F)c1F - Molecular Weight1
- 538.61
- 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 | 1.3446 | Relay (... Calculated Property | |
| ΔfG° | -868.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1441.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 77.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.79 | kJ/mol | Relay (... Calculated Property |
| IE | 9.27 | eV | Relay (... Calculated Property |
| log10WS | -9.81 | Relay (... Calculated Property | |
| logPoct/wat | 8.848 | Crippen Calculated Property | |
| McVol | 408.000 | ml/mol | McGowan Calculated Property |
| Pc | 772.03 | kPa | Joback Calculated Property |
| Inp | 3228.00 | NIST | |
| Tboil | 716.14 | K | Relay (... Calculated Property |
| Tc | 932.66 | K | Relay (... Calculated Property |
| Tfus | 309.41 | K | Relay (... Calculated Property |
| Vc | 1.528 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1404.81; 1457.91] | J/mol×K | [1113.72; 1384.08] | 
|
| Cp,gas | 1404.81 | J/mol×K | 1113.72 | Joback Calculated Property |
| Cp,gas | 1419.05 | J/mol×K | 1158.78 | Joback Calculated Property |
| Cp,gas | 1431.01 | J/mol×K | 1203.84 | Joback Calculated Property |
| Cp,gas | 1440.78 | J/mol×K | 1248.90 | Joback Calculated Property |
| Cp,gas | 1448.47 | J/mol×K | 1293.96 | Joback Calculated Property |
| Cp,gas | 1454.14 | J/mol×K | 1339.02 | Joback Calculated Property |
| Cp,gas | 1457.91 | J/mol×K | 1384.08 | Joback Calculated Property |
Similar Compounds
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Sources
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