- InChI
- InChI=1S/C17H14F8O5/c1-9(26)10-2-4-11(5-3-10)30-13(28)7-6-12(27)29-8-15(20,21)17(24,25)16(22,23)14(18)19/h2-5,14H,6-8H2,1H3
- InChI Key
- IBZMJZVJUKBKTE-UHFFFAOYSA-N
- Formula
- C17H14F8O5
- SMILES
-
CC(=O)c1ccc(OC(=O)CCC(=O)OCC(F
)(F)C(F)(F)C(F)(F)C(F)F)cc1 - Molecular Weight1
- 450.28
- 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 | 0.9039 | Relay (1.0) Calculated Property | |
| ΔfG° | -1954.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2486.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.289 | Crippen Calculated Property | |
| McVol | 257.240 | ml/mol | McGowan Calculated Property |
| Pc | 1398.55 | kPa | Joback Calculated Property |
| Inp | [2193.00; 2193.00] |
|
|
| Inp | 2193.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Tboil | 617.41 | K | Relay (1.0) Calculated Property |
| Tc | 798.05 | K | Relay (1.0) Calculated Property |
| Tfus | 355.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.952 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.26; 840.29] | J/mol×K | [810.50; 999.61] |
|
| Cp,gas | 786.26 | J/mol×K | 810.50 | Joback Calculated Property |
| Cp,gas | 797.26 | J/mol×K | 842.02 | Joback Calculated Property |
| Cp,gas | 807.38 | J/mol×K | 873.54 | Joback Calculated Property |
| Cp,gas | 816.68 | J/mol×K | 905.06 | Joback Calculated Property |
| Cp,gas | 825.23 | J/mol×K | 936.57 | Joback Calculated Property |
| Cp,gas | 833.08 | J/mol×K | 968.09 | Joback Calculated Property |
| Cp,gas | 840.29 | J/mol×K | 999.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 4-acetylphenyl ester.
Sources
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