- InChI
- InChI=1S/C20H29FO4/c1-16(2)15-24-19(22)12-7-5-3-4-6-8-13-20(23)25-18-11-9-10-17(21)14-18/h9-11,14,16H,3-8,12-13,15H2,1-2H3
- InChI Key
- JRYCGQXXQKVVNW-UHFFFAOYSA-N
- Formula
- C20H29FO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
cc(F)c1 - Molecular Weight1
- 352.44
- 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° | -444.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 5.051 | Crippen Calculated Property | |
| McVol | 285.550 | ml/mol | McGowan Calculated Property |
| Pc | 1306.12 | kPa | Joback Calculated Property |
| Inp | [2440.00; 2440.00] |
|
|
| Inp | 2440.00 | NIST | |
| Inp | 2440.00 | NIST | |
| Tboil | 840.07 | K | Joback Calculated Property |
| Tc | 1037.81 | K | Joback Calculated Property |
| Tfus | 484.01 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.60; 964.34] | J/mol×K | [840.07; 1037.81] |
|
| Cp,gas | 885.60 | J/mol×K | 840.07 | Joback Calculated Property |
| Cp,gas | 901.44 | J/mol×K | 873.03 | Joback Calculated Property |
| Cp,gas | 916.17 | J/mol×K | 905.98 | Joback Calculated Property |
| Cp,gas | 929.79 | J/mol×K | 938.94 | Joback Calculated Property |
| Cp,gas | 942.35 | J/mol×K | 971.90 | Joback Calculated Property |
| Cp,gas | 953.86 | J/mol×K | 1004.86 | Joback Calculated Property |
| Cp,gas | 964.34 | J/mol×K | 1037.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-fluorophenyl isobutyl ester.
Sources
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