- InChI
- InChI=1S/C29H47FO4/c1-2-3-4-5-6-7-8-9-12-15-18-24-33-28(31)22-16-13-10-11-14-17-23-29(32)34-27-21-19-20-26(30)25-27/h19-21,25H,2-18,22-24H2,1H3
- InChI Key
- JSCSFTCJGCLLEW-UHFFFAOYSA-N
- Formula
- C29H47FO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=
O)Oc1cccc(F)c1 - Molecular Weight1
- 478.68
- 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 | 1.3286 | Relay (1.0) Calculated Property | |
| ΔfG° | -366.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1225.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.706 | Crippen Calculated Property | |
| McVol | 412.360 | ml/mol | McGowan Calculated Property |
| Pc | 755.15 | kPa | Joback Calculated Property |
| Inp | [3391.00; 3391.00] |
|
|
| Inp | 3391.00 | NIST | |
| Inp | 3391.00 | NIST | |
| Tboil | 695.10 | K | Relay (1.0) Calculated Property |
| Tc | 887.89 | K | Relay (1.0) Calculated Property |
| Tfus | 324.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.565 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1439.60; 1524.31] | J/mol×K | [1046.43; 1294.45] |
|
| Cp,gas | 1439.60 | J/mol×K | 1046.43 | Joback Calculated Property |
| Cp,gas | 1458.39 | J/mol×K | 1087.77 | Joback Calculated Property |
| Cp,gas | 1475.19 | J/mol×K | 1129.10 | Joback Calculated Property |
| Cp,gas | 1490.09 | J/mol×K | 1170.44 | Joback Calculated Property |
| Cp,gas | 1503.19 | J/mol×K | 1211.78 | Joback Calculated Property |
| Cp,gas | 1514.56 | J/mol×K | 1253.11 | Joback Calculated Property |
| Cp,gas | 1524.31 | J/mol×K | 1294.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-fluorophenyl tridecyl ester.
Sources
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