- InChI
- InChI=1S/C22H33FO4/c1-18(2)11-10-16-26-21(24)14-7-5-3-4-6-8-15-22(25)27-20-13-9-12-19(23)17-20/h9,12-13,17-18H,3-8,10-11,14-16H2,1-2H3
- InChI Key
- WLIVJONASJKUKP-UHFFFAOYSA-N
- Formula
- C22H33FO4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
cccc(F)c1 - Molecular Weight1
- 380.49
- 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 | 1.0444 | Relay (... Calculated Property | |
| ΔfG° | -427.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1099.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 51.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -6.18 | Relay (... Calculated Property | |
| logPoct/wat | 5.831 | Crippen Calculated Property | |
| McVol | 313.730 | ml/mol | McGowan Calculated Property |
| Pc | 1142.12 | kPa | Joback Calculated Property |
| Inp | [2646.00; 2646.00] |
|
|
| Inp | 2646.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Tboil | 645.99 | K | Relay (... Calculated Property |
| Tc | 838.51 | K | Relay (... Calculated Property |
| Tfus | 308.23 | K | Relay (... Calculated Property |
| Vc | 1.169 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.95; 1085.01] | J/mol×K | [885.83; 1087.56] |
|
| Cp,gas | 1004.95 | J/mol×K | 885.83 | Joback Calculated Property |
| Cp,gas | 1021.27 | J/mol×K | 919.45 | Joback Calculated Property |
| Cp,gas | 1036.35 | J/mol×K | 953.07 | Joback Calculated Property |
| Cp,gas | 1050.24 | J/mol×K | 986.69 | Joback Calculated Property |
| Cp,gas | 1062.96 | J/mol×K | 1020.32 | Joback Calculated Property |
| Cp,gas | 1074.54 | J/mol×K | 1053.94 | Joback Calculated Property |
| Cp,gas | 1085.01 | J/mol×K | 1087.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-fluorophenyl isohexyl ester.
Sources
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