- InChI
- InChI=1S/C19H27FO4/c1-2-14-23-18(21)12-7-5-3-4-6-8-13-19(22)24-17-11-9-10-16(20)15-17/h9-11,15H,2-8,12-14H2,1H3
- InChI Key
- CWDWFBWFSDZJSX-UHFFFAOYSA-N
- Formula
- C19H27FO4
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)Oc1cccc(
F)c1 - Molecular Weight1
- 338.41
- 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 | 0.9701 | Relay (1.0) Calculated Property | |
| ΔfG° | -450.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1022.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.805 | Crippen Calculated Property | |
| McVol | 271.460 | ml/mol | McGowan Calculated Property |
| Pc | 1393.33 | kPa | Joback Calculated Property |
| Inp | 2383.00 | NIST | |
| Tboil | 626.00 | K | Relay (1.0) Calculated Property |
| Tc | 812.39 | K | Relay (1.0) Calculated Property |
| Tfus | 305.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.52; 904.08] | J/mol×K | [817.63; 1012.75] | 
|
| Cp,gas | 826.52 | J/mol×K | 817.63 | Joback Calculated Property |
| Cp,gas | 841.99 | J/mol×K | 850.15 | Joback Calculated Property |
| Cp,gas | 856.41 | J/mol×K | 882.67 | Joback Calculated Property |
| Cp,gas | 869.82 | J/mol×K | 915.19 | Joback Calculated Property |
| Cp,gas | 882.22 | J/mol×K | 947.71 | Joback Calculated Property |
| Cp,gas | 893.63 | J/mol×K | 980.23 | Joback Calculated Property |
| Cp,gas | 904.08 | J/mol×K | 1012.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-fluorophenyl propyl ester.
Sources
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