- InChI
- InChI=1S/C15H19FO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
- InChI Key
- DAESUBIWTYUADX-UHFFFAOYSA-N
- Formula
- C15H19FO4
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1cccc(F)
c1 - Molecular Weight1
- 282.31
- 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 | 0.7380 | Relay (1.0) Calculated Property | |
| ΔfG° | -486.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.848 | Crippen Calculated Property | |
| McVol | 215.100 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | [1889.00; 1889.00] |
|
|
| Inp | 1889.00 | NIST | |
| Inp | 1889.00 | NIST | |
| Tboil | 580.49 | K | Relay (1.0) Calculated Property |
| Tc | 768.94 | K | Relay (1.0) Calculated Property |
| Tfus | 279.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.99; 675.03] | J/mol×K | [725.67; 925.21] |
|
| Cp,gas | 601.99 | J/mol×K | 725.67 | Joback Calculated Property |
| Cp,gas | 616.42 | J/mol×K | 758.93 | Joback Calculated Property |
| Cp,gas | 629.93 | J/mol×K | 792.18 | Joback Calculated Property |
| Cp,gas | 642.53 | J/mol×K | 825.44 | Joback Calculated Property |
| Cp,gas | 654.25 | J/mol×K | 858.69 | Joback Calculated Property |
| Cp,gas | 665.08 | J/mol×K | 891.95 | Joback Calculated Property |
| Cp,gas | 675.03 | J/mol×K | 925.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-fluorobenzyl isobutyl ester.
Sources
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