- InChI
- InChI=1S/C21H32F6O4/c1-2-3-4-5-6-7-8-9-10-11-15-30-17(28)13-12-14-18(29)31-16-20(23,24)19(22)21(25,26)27/h10-11,19H,2-9,12-16H2,1H3/b11-10+
- InChI Key
- CDRLFMBPCUGTAH-ZHACJKMWSA-N
- Formula
- C21H32F6O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)OCC
(F)(F)C(F)C(F)(F)F - Molecular Weight1
- 462.47
- 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 | 0.9947 | Relay (... Calculated Property | |
| ΔfG° | -1427.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2246.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 56.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.58 | eV | Relay (... Calculated Property |
| log10WS | -6.72 | Relay (... Calculated Property | |
| logPoct/wat | 6.476 | Crippen Calculated Property | |
| McVol | 327.950 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | 2215.00 | NIST | |
| Tboil | 611.60 | K | Relay (... Calculated Property |
| Tc | 735.71 | K | Relay (... Calculated Property |
| Tfus | 264.92 | K | Relay (... Calculated Property |
| Vc | 1.201 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1050.78; 1137.21] | J/mol×K | [825.34; 1010.55] | 
|
| Cp,gas | 1050.78 | J/mol×K | 825.34 | Joback Calculated Property |
| Cp,gas | 1067.50 | J/mol×K | 856.21 | Joback Calculated Property |
| Cp,gas | 1083.21 | J/mol×K | 887.08 | Joback Calculated Property |
| Cp,gas | 1097.98 | J/mol×K | 917.95 | Joback Calculated Property |
| Cp,gas | 1111.86 | J/mol×K | 948.81 | Joback Calculated Property |
| Cp,gas | 1124.92 | J/mol×K | 979.68 | Joback Calculated Property |
| Cp,gas | 1137.21 | J/mol×K | 1010.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester.
Sources
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