- InChI
- InChI=1S/C20H25F5O4/c1-12(2)11-28-13(26)9-7-5-3-4-6-8-10-14(27)29-20-18(24)16(22)15(21)17(23)19(20)25/h12H,3-11H2,1-2H3
- InChI Key
- MLQZUYCSYNORDS-UHFFFAOYSA-N
- Formula
- C20H25F5O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1c(
F)c(F)c(F)c(F)c1F - Molecular Weight1
- 424.40
- 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 | 1.0333 | Relay (1.0) Calculated Property | |
| ΔfG° | -1262.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1623.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.607 | Crippen Calculated Property | |
| McVol | 292.630 | ml/mol | McGowan Calculated Property |
| Pc | 1105.94 | kPa | Joback Calculated Property |
| Inp | 2244.00 | NIST | |
| Tboil | 601.00 | K | Relay (1.0) Calculated Property |
| Tc | 783.19 | K | Relay (1.0) Calculated Property |
| Tfus | 312.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.110 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [912.14; 983.04] | J/mol×K | [857.07; 1049.66] | 
|
| Cp,gas | 912.14 | J/mol×K | 857.07 | Joback Calculated Property |
| Cp,gas | 926.58 | J/mol×K | 889.17 | Joback Calculated Property |
| Cp,gas | 939.96 | J/mol×K | 921.27 | Joback Calculated Property |
| Cp,gas | 952.29 | J/mol×K | 953.37 | Joback Calculated Property |
| Cp,gas | 963.58 | J/mol×K | 985.46 | Joback Calculated Property |
| Cp,gas | 973.83 | J/mol×K | 1017.56 | Joback Calculated Property |
| Cp,gas | 983.04 | J/mol×K | 1049.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isobutyl pentafluorophenyl ester.
Sources
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