- InChI
- InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-10-13-18-23-31-26(29)21-14-11-8-9-12-15-22-27(30)32-25-20-17-16-19-24(25)28/h16-17,19-20H,2-15,18,21-23H2,1H3
- InChI Key
- ZGBLRTJUPXCEBS-UHFFFAOYSA-N
- Formula
- C27H43FO4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)
Oc1ccccc1F - Molecular Weight1
- 450.63
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -383.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1061.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.93 | Crippen Calculated Property | |
| logPoct/wat | 7.926 | Crippen Calculated Property | |
| McVol | 384.180 | ml/mol | McGowan Calculated Property |
| Pc | 841.62 | kPa | Joback Calculated Property |
| Inp | [3212.00; 3212.00] |
|
|
| Inp | 3212.00 | NIST | |
| Inp | 3212.00 | NIST | |
| Tboil | 1000.67 | K | Joback Calculated Property |
| Tc | 1229.47 | K | Joback Calculated Property |
| Tfus | 577.90 | K | Joback Calculated Property |
| Vc | 1.506 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1313.16; 1396.71] | J/mol×K | [1000.67; 1229.47] |
|
| Cp,gas | 1313.16 | J/mol×K | 1000.67 | Joback Calculated Property |
| Cp,gas | 1331.08 | J/mol×K | 1038.80 | Joback Calculated Property |
| Cp,gas | 1347.32 | J/mol×K | 1076.94 | Joback Calculated Property |
| Cp,gas | 1361.94 | J/mol×K | 1115.07 | Joback Calculated Property |
| Cp,gas | 1375.00 | J/mol×K | 1153.21 | Joback Calculated Property |
| Cp,gas | 1386.57 | J/mol×K | 1191.34 | Joback Calculated Property |
| Cp,gas | 1396.71 | J/mol×K | 1229.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-fluorophenyl undecyl ester.
Sources
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