- InChI
- InChI=1S/C22H30F4O4/c1-2-3-4-5-6-7-8-15-29-20(27)13-10-14-21(28)30-16-17-18(22(24,25)26)11-9-12-19(17)23/h9,11-12H,2-8,10,13-16H2,1H3
- InChI Key
- YWALXXTWCNRKET-UHFFFAOYSA-N
- Formula
- C22H30F4O4
- SMILES
-
CCCCCCCCCOC(=O)CCCC(=O)OCc1c(F
)cccc1C(F)(F)F - Molecular Weight1
- 434.46
- 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 | 1.0455 | Relay (1.0) Calculated Property | |
| ΔfG° | -1016.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1684.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.352 | Crippen Calculated Property | |
| McVol | 319.040 | ml/mol | McGowan Calculated Property |
| Pc | 1041.93 | kPa | Joback Calculated Property |
| Inp | 2750.00 | NIST | |
| Tboil | 651.34 | K | Relay (1.0) Calculated Property |
| Tc | 816.76 | K | Relay (1.0) Calculated Property |
| Tfus | 316.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1025.97; 1102.53] | J/mol×K | [885.83; 1084.74] | 
|
| Cp,gas | 1025.97 | J/mol×K | 885.83 | Joback Calculated Property |
| Cp,gas | 1041.43 | J/mol×K | 918.98 | Joback Calculated Property |
| Cp,gas | 1055.75 | J/mol×K | 952.13 | Joback Calculated Property |
| Cp,gas | 1068.98 | J/mol×K | 985.29 | Joback Calculated Property |
| Cp,gas | 1081.16 | J/mol×K | 1018.44 | Joback Calculated Property |
| Cp,gas | 1092.33 | J/mol×K | 1051.59 | Joback Calculated Property |
| Cp,gas | 1102.53 | J/mol×K | 1084.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester.
Sources
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