- InChI
- InChI=1S/C16H23F7O4/c1-2-3-4-5-6-10-26-12(24)8-7-9-13(25)27-11-14(17,18)15(19,20)16(21,22)23/h2-11H2,1H3
- InChI Key
- SHUCHKCFXWGZMT-UHFFFAOYSA-N
- Formula
- C16H23F7O4
- SMILES
-
CCCCCCCOC(=O)CCCC(=O)OCC(F)(F)
C(F)(F)C(F)(F)F - Molecular Weight1
- 412.34
- 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 | 0.9034 | Relay (1.0) Calculated Property | |
| ΔfG° | -1739.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2403.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.046 | Crippen Calculated Property | |
| McVol | 263.570 | ml/mol | McGowan Calculated Property |
| Pc | 1172.83 | kPa | Joback Calculated Property |
| Inp | 1840.00 | NIST | |
| Tboil | 549.21 | K | Relay (1.0) Calculated Property |
| Tc | 656.16 | K | Relay (1.0) Calculated Property |
| Tfus | 250.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.001 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [794.63; 869.51] | J/mol×K | [703.26; 866.49] | 
|
| Cp,gas | 794.63 | J/mol×K | 703.26 | Joback Calculated Property |
| Cp,gas | 809.01 | J/mol×K | 730.46 | Joback Calculated Property |
| Cp,gas | 822.57 | J/mol×K | 757.67 | Joback Calculated Property |
| Cp,gas | 835.37 | J/mol×K | 784.87 | Joback Calculated Property |
| Cp,gas | 847.43 | J/mol×K | 812.08 | Joback Calculated Property |
| Cp,gas | 858.80 | J/mol×K | 839.28 | Joback Calculated Property |
| Cp,gas | 869.51 | J/mol×K | 866.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl heptyl ester.
Sources
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