- InChI
- InChI=1S/C21H33F7O4/c1-2-3-4-5-6-7-8-9-10-11-15-31-17(29)13-12-14-18(30)32-16-19(22,23)20(24,25)21(26,27)28/h2-16H2,1H3
- InChI Key
- YVJMOQPGHJMISW-UHFFFAOYSA-N
- Formula
- C21H33F7O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCC(=O)OCC(
F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 482.47
- 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 | 1.0869 | Relay (1.0) Calculated Property | |
| ΔfG° | -1697.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2496.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.997 | Crippen Calculated Property | |
| McVol | 334.020 | ml/mol | McGowan Calculated Property |
| Pc | 865.05 | kPa | Joback Calculated Property |
| Inp | 2358.00 | NIST | |
| Tboil | 605.67 | K | Relay (1.0) Calculated Property |
| Tc | 706.54 | K | Relay (1.0) Calculated Property |
| Tfus | 274.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.270 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1084.34; 1172.33] | J/mol×K | [817.66; 1001.67] | 
|
| Cp,gas | 1084.34 | J/mol×K | 817.66 | Joback Calculated Property |
| Cp,gas | 1101.42 | J/mol×K | 848.33 | Joback Calculated Property |
| Cp,gas | 1117.45 | J/mol×K | 879.00 | Joback Calculated Property |
| Cp,gas | 1132.49 | J/mol×K | 909.66 | Joback Calculated Property |
| Cp,gas | 1146.61 | J/mol×K | 940.33 | Joback Calculated Property |
| Cp,gas | 1159.87 | J/mol×K | 971.00 | Joback Calculated Property |
| Cp,gas | 1172.33 | J/mol×K | 1001.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester.
Sources
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