- InChI
- InChI=1S/C20H28F4O4/c21-18(22)20(23,24)12-28-17(26)3-1-2-16(25)27-5-4-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15,18H,1-12H2
- InChI Key
- UAZBIVUSIGHUFA-UHFFFAOYSA-N
- Formula
- C20H28F4O4
- SMILES
-
O=C(CCCC(=O)OCC(F)(F)C(F)F)OCC
C12CC3CC(CC(C3)C1)C2 - Molecular Weight1
- 408.43
- 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 | 0.8294 | Relay (1.0) Calculated Property | |
| ΔfG° | -972.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1785.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.750 | Crippen Calculated Property | |
| McVol | 282.040 | ml/mol | McGowan Calculated Property |
| Pc | 1301.41 | kPa | Joback Calculated Property |
| Inp | 2371.00 | NIST | |
| Tboil | 659.93 | K | Relay (1.0) Calculated Property |
| Tc | 866.21 | K | Relay (1.0) Calculated Property |
| Tfus | 429.35 | K | Relay (1.0) Calculated Property |
| Vc | 1.065 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.82; 1060.98] | J/mol×K | [823.05; 1018.01] | 
|
| Cp,gas | 955.82 | J/mol×K | 823.05 | Joback Calculated Property |
| Cp,gas | 974.23 | J/mol×K | 855.54 | Joback Calculated Property |
| Cp,gas | 992.08 | J/mol×K | 888.04 | Joback Calculated Property |
| Cp,gas | 1009.53 | J/mol×K | 920.53 | Joback Calculated Property |
| Cp,gas | 1026.73 | J/mol×K | 953.02 | Joback Calculated Property |
| Cp,gas | 1043.83 | J/mol×K | 985.52 | Joback Calculated Property |
| Cp,gas | 1060.98 | J/mol×K | 1018.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl 2,2,3,3-tetrafluoropropyl ester.
Sources
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