- InChI
- InChI=1S/C27H42F2O4/c1-2-3-4-5-6-7-10-13-16-19-32-26(30)17-14-11-8-9-12-15-18-27(31)33-25-21-23(28)20-24(29)22-25/h20-22H,2-19H2,1H3
- InChI Key
- JCRWRTJCORKIAL-UHFFFAOYSA-N
- Formula
- C27H42F2O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)
Oc1cc(F)cc(F)c1 - Molecular Weight1
- 468.62
- 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 | 1.2832 | Relay (... Calculated Property | |
| ΔfG° | -587.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1349.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 70.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.43 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -8.24 | Relay (... Calculated Property | |
| logPoct/wat | 8.065 | Crippen Calculated Property | |
| McVol | 385.950 | ml/mol | McGowan Calculated Property |
| Pc | 813.07 | kPa | Joback Calculated Property |
| Inp | 3163.00 | NIST | |
| Tboil | 676.29 | K | Relay (... Calculated Property |
| Tc | 869.11 | K | Relay (... Calculated Property |
| Tfus | 324.88 | K | Relay (... Calculated Property |
| Vc | 1.471 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1319.25; 1401.11] | J/mol×K | [1004.92; 1237.97] | 
|
| Cp,gas | 1319.25 | J/mol×K | 1004.92 | Joback Calculated Property |
| Cp,gas | 1337.11 | J/mol×K | 1043.76 | Joback Calculated Property |
| Cp,gas | 1353.20 | J/mol×K | 1082.60 | Joback Calculated Property |
| Cp,gas | 1367.59 | J/mol×K | 1121.44 | Joback Calculated Property |
| Cp,gas | 1380.33 | J/mol×K | 1160.28 | Joback Calculated Property |
| Cp,gas | 1391.48 | J/mol×K | 1199.12 | Joback Calculated Property |
| Cp,gas | 1401.11 | J/mol×K | 1237.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3,5-difluorophenyl undecyl ester.
Sources
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