- InChI
- InChI=1S/C24H37FO4/c1-2-3-4-5-10-15-20-28-23(26)18-11-8-6-7-9-12-19-24(27)29-22-17-14-13-16-21(22)25/h13-14,16-17H,2-12,15,18-20H2,1H3
- InChI Key
- QUCBTWKNRXVLLB-UHFFFAOYSA-N
- Formula
- C24H37FO4
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1
ccccc1F - Molecular Weight1
- 408.55
- 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 | 1.1425 | Relay (1.0) Calculated Property | |
| ΔfG° | -408.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1104.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.756 | Crippen Calculated Property | |
| McVol | 341.910 | ml/mol | McGowan Calculated Property |
| Pc | 1002.08 | kPa | Joback Calculated Property |
| Inp | 2903.00 | NIST | |
| Tboil | 650.90 | K | Relay (1.0) Calculated Property |
| Tc | 852.76 | K | Relay (1.0) Calculated Property |
| Tfus | 317.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1126.42; 1207.99] | J/mol×K | [932.03; 1141.08] | 
|
| Cp,gas | 1126.42 | J/mol×K | 932.03 | Joback Calculated Property |
| Cp,gas | 1143.28 | J/mol×K | 966.87 | Joback Calculated Property |
| Cp,gas | 1158.79 | J/mol×K | 1001.71 | Joback Calculated Property |
| Cp,gas | 1172.97 | J/mol×K | 1036.55 | Joback Calculated Property |
| Cp,gas | 1185.87 | J/mol×K | 1071.39 | Joback Calculated Property |
| Cp,gas | 1197.53 | J/mol×K | 1106.24 | Joback Calculated Property |
| Cp,gas | 1207.99 | J/mol×K | 1141.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-fluorophenyl octyl ester.
Sources
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