- InChI
- InChI=1S/C21H28F4O4/c1-2-3-4-5-6-7-14-28-19(26)12-9-13-20(27)29-15-16-17(21(23,24)25)10-8-11-18(16)22/h8,10-11H,2-7,9,12-15H2,1H3
- InChI Key
- NTPZJKNEPCALRL-UHFFFAOYSA-N
- Formula
- C21H28F4O4
- SMILES
-
CCCCCCCCOC(=O)CCCC(=O)OCc1c(F)
cccc1C(F)(F)F - Molecular Weight1
- 420.44
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -1025.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1545.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.95 | Crippen Calculated Property | |
| logPoct/wat | 5.962 | Crippen Calculated Property | |
| McVol | 304.950 | ml/mol | McGowan Calculated Property |
| Pc | 1109.63 | kPa | Joback Calculated Property |
| Inp | 2634.00 | NIST | |
| Tboil | 862.95 | K | Joback Calculated Property |
| Tc | 1057.84 | K | Joback Calculated Property |
| Tfus | 526.99 | K | Joback Calculated Property |
| Vc | 1.212 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [966.41; 1041.53] | J/mol×K | [862.95; 1057.84] | 
|
| Cp,gas | 966.41 | J/mol×K | 862.95 | Joback Calculated Property |
| Cp,gas | 981.49 | J/mol×K | 895.43 | Joback Calculated Property |
| Cp,gas | 995.49 | J/mol×K | 927.91 | Joback Calculated Property |
| Cp,gas | 1008.46 | J/mol×K | 960.40 | Joback Calculated Property |
| Cp,gas | 1020.43 | J/mol×K | 992.88 | Joback Calculated Property |
| Cp,gas | 1031.44 | J/mol×K | 1025.36 | Joback Calculated Property |
| Cp,gas | 1041.53 | J/mol×K | 1057.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluoro-6-(trifluoromethyl)benzyl octyl ester.
Sources
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