- InChI
- InChI=1S/C20H29FO4/c1-2-3-16-24-19(22)14-8-6-4-5-7-9-15-20(23)25-18-13-11-10-12-17(18)21/h10-13H,2-9,14-16H2,1H3
- InChI Key
- LFSHYLPHLOIARR-UHFFFAOYSA-N
- Formula
- C20H29FO4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1cccc
c1F - Molecular Weight1
- 352.44
- 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 | 0.9980 | Relay (1.0) Calculated Property | |
| ΔfG° | -442.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.195 | Crippen Calculated Property | |
| McVol | 285.550 | ml/mol | McGowan Calculated Property |
| Pc | 1298.60 | kPa | Joback Calculated Property |
| Inp | [2497.00; 2497.00] |
|
|
| Inp | 2497.00 | NIST | |
| Inp | 2497.00 | NIST | |
| Tboil | 621.69 | K | Relay (1.0) Calculated Property |
| Tc | 820.53 | K | Relay (1.0) Calculated Property |
| Tfus | 299.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.09; 963.58] | J/mol×K | [840.51; 1036.82] |
|
| Cp,gas | 885.09 | J/mol×K | 840.51 | Joback Calculated Property |
| Cp,gas | 900.82 | J/mol×K | 873.23 | Joback Calculated Property |
| Cp,gas | 915.47 | J/mol×K | 905.95 | Joback Calculated Property |
| Cp,gas | 929.04 | J/mol×K | 938.67 | Joback Calculated Property |
| Cp,gas | 941.57 | J/mol×K | 971.38 | Joback Calculated Property |
| Cp,gas | 953.08 | J/mol×K | 1004.10 | Joback Calculated Property |
| Cp,gas | 963.58 | J/mol×K | 1036.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl 2-fluorophenyl ester.
Sources
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