- InChI
- InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-11-14-17-23-32-27(30)21-15-12-9-10-13-16-22-28(31)33-26-20-18-19-25(29)24-26/h18-20,24H,2-17,21-23H2,1H3
- InChI Key
- XSYLWGFJMPYSJZ-UHFFFAOYSA-N
- Formula
- C28H45FO4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)Oc1cccc(F)c1 - Molecular Weight1
- 464.65
- 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 | 1.2932 | Relay (1.0) Calculated Property | |
| ΔfG° | -374.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1204.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.316 | Crippen Calculated Property | |
| McVol | 398.270 | ml/mol | McGowan Calculated Property |
| Pc | 796.63 | kPa | Joback Calculated Property |
| Inp | [3292.00; 3292.00] |
|
|
| Inp | 3292.00 | NIST | |
| Inp | 3292.00 | NIST | |
| Tboil | 688.57 | K | Relay (1.0) Calculated Property |
| Tc | 881.37 | K | Relay (1.0) Calculated Property |
| Tfus | 322.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1376.21; 1460.37] | J/mol×K | [1023.55; 1261.30] |
|
| Cp,gas | 1376.21 | J/mol×K | 1023.55 | Joback Calculated Property |
| Cp,gas | 1394.55 | J/mol×K | 1063.17 | Joback Calculated Property |
| Cp,gas | 1411.06 | J/mol×K | 1102.80 | Joback Calculated Property |
| Cp,gas | 1425.83 | J/mol×K | 1142.42 | Joback Calculated Property |
| Cp,gas | 1438.92 | J/mol×K | 1182.05 | Joback Calculated Property |
| Cp,gas | 1450.41 | J/mol×K | 1221.67 | Joback Calculated Property |
| Cp,gas | 1460.37 | J/mol×K | 1261.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, dodecyl 3-fluorophenyl ester.
Sources
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