- InChI
- InChI=1S/C14H21F3O4/c1-3-4-5-6-10-20-12(18)8-7-9-13(19)21-11(2)14(15,16)17/h3-4,11H,5-10H2,1-2H3/b4-3+
- InChI Key
- YGHNWMIITOXCGI-ONEGZZNKSA-N
- Formula
- C14H21F3O4
- SMILES
-
CC=CCCCOC(=O)CCCC(=O)OC(C)C(F)
(F)F - Molecular Weight1
- 310.31
- 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 | 0.7312 | Relay (... Calculated Property | |
| ΔfG° | -904.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1520.35 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.29 | kJ/mol | Relay (... Calculated Property |
| IE | 9.39 | eV | Relay (... Calculated Property |
| log10WS | -3.02 | Relay (... Calculated Property | |
| logPoct/wat | 3.550 | Crippen Calculated Property | |
| McVol | 224.010 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | [1574.00; 1574.00] |
|
|
| Inp | 1574.00 | NIST | |
| Inp | 1574.00 | NIST | |
| Tboil | 531.75 | K | Relay (... Calculated Property |
| Tc | 677.15 | K | Relay (... Calculated Property |
| Tfus | 266.85 | K | Relay (... Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.05; 701.54] | J/mol×K | [670.60; 843.97] |
|
| Cp,gas | 627.05 | J/mol×K | 670.60 | Joback Calculated Property |
| Cp,gas | 641.24 | J/mol×K | 699.50 | Joback Calculated Property |
| Cp,gas | 654.68 | J/mol×K | 728.39 | Joback Calculated Property |
| Cp,gas | 667.42 | J/mol×K | 757.29 | Joback Calculated Property |
| Cp,gas | 679.45 | J/mol×K | 786.18 | Joback Calculated Property |
| Cp,gas | 690.82 | J/mol×K | 815.08 | Joback Calculated Property |
| Cp,gas | 701.54 | J/mol×K | 843.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-en-1-yl 1,1,1-trifluoroprop-2-yl ester.
Sources
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