- InChI
- InChI=1S/C29H45F3O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-35-27(33)29(5-2,6-3)28(34)36-22-23-20-25(31)26(32)21-24(23)30/h20-21H,4-19,22H2,1-3H3
- InChI Key
- KHKZMXBSYZBBCM-UHFFFAOYSA-N
- Formula
- C29H45F3O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)OCc1cc(F)c(F)cc1F - Molecular Weight1
- 514.66
- 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 | 1.2273 | Relay (1.0) Calculated Property | |
| ΔfG° | -772.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1506.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.588 | Crippen Calculated Property | |
| McVol | 415.900 | ml/mol | McGowan Calculated Property |
| Pc | 714.92 | kPa | Joback Calculated Property |
| Inp | 2962.00 | NIST | |
| Tboil | 675.76 | K | Relay (1.0) Calculated Property |
| Tc | 875.09 | K | Relay (1.0) Calculated Property |
| Tfus | 328.74 | K | Relay (1.0) Calculated Property |
| Vc | 1.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1451.16; 1536.48] | J/mol×K | [1051.70; 1304.96] | 
|
| Cp,gas | 1451.16 | J/mol×K | 1051.70 | Joback Calculated Property |
| Cp,gas | 1469.82 | J/mol×K | 1093.91 | Joback Calculated Property |
| Cp,gas | 1486.55 | J/mol×K | 1136.12 | Joback Calculated Property |
| Cp,gas | 1501.47 | J/mol×K | 1178.33 | Joback Calculated Property |
| Cp,gas | 1514.69 | J/mol×K | 1220.54 | Joback Calculated Property |
| Cp,gas | 1526.32 | J/mol×K | 1262.75 | Joback Calculated Property |
| Cp,gas | 1536.48 | J/mol×K | 1304.96 | Joback Calculated Property |
Similar Compounds
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Sources
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