- InChI
- InChI=1S/C13H23FO4/c1-5-13(6-2,11(15)17-8-7-14)12(16)18-9-10(3)4/h10H,5-9H2,1-4H3
- InChI Key
- DBQMANTWSJRXEX-UHFFFAOYSA-N
- Formula
- C13H23FO4
- SMILES
- CCC(CC)(C(=O)OCCF)C(=O)OCC(C)C
- Molecular Weight1
- 262.32
- 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 | 0.6894 | Relay (1.0) Calculated Property | |
| ΔfG° | -603.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1118.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.505 | Crippen Calculated Property | |
| McVol | 210.680 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | 1419.00 | NIST | |
| Tboil | 533.22 | K | Relay (1.0) Calculated Property |
| Tc | 713.29 | K | Relay (1.0) Calculated Property |
| Tfus | 265.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.61; 660.09] | J/mol×K | [645.02; 825.32] | 
|
| Cp,gas | 579.61 | J/mol×K | 645.02 | Joback Calculated Property |
| Cp,gas | 594.90 | J/mol×K | 675.07 | Joback Calculated Property |
| Cp,gas | 609.42 | J/mol×K | 705.12 | Joback Calculated Property |
| Cp,gas | 623.19 | J/mol×K | 735.17 | Joback Calculated Property |
| Cp,gas | 636.21 | J/mol×K | 765.22 | Joback Calculated Property |
| Cp,gas | 648.51 | J/mol×K | 795.27 | Joback Calculated Property |
| Cp,gas | 660.09 | J/mol×K | 825.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 2-fluoroethyl ester.
Sources
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