- InChI
- InChI=1S/C13H23FO4/c1-4-7-9-17-11(15)13(5-2,6-3)12(16)18-10-8-14/h4-10H2,1-3H3
- InChI Key
- QZFYKLIPMOHSBU-UHFFFAOYSA-N
- Formula
- C13H23FO4
- SMILES
- CCCCOC(=O)C(CC)(CC)C(=O)OCCF
- 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 | 0.7195 | Relay (1.0) Calculated Property | |
| ΔfG° | -601.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1101.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.649 | Crippen Calculated Property | |
| McVol | 210.680 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | [1464.00; 1464.00] |
|
|
| Inp | 1464.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Tboil | 535.46 | K | Relay (1.0) Calculated Property |
| Tc | 721.47 | K | Relay (1.0) Calculated Property |
| Tfus | 247.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.758 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.17; 658.50] | J/mol×K | [645.46; 823.05] |
|
| Cp,gas | 579.17 | J/mol×K | 645.46 | Joback Calculated Property |
| Cp,gas | 594.19 | J/mol×K | 675.06 | Joback Calculated Property |
| Cp,gas | 608.48 | J/mol×K | 704.66 | Joback Calculated Property |
| Cp,gas | 622.04 | J/mol×K | 734.26 | Joback Calculated Property |
| Cp,gas | 634.88 | J/mol×K | 763.86 | Joback Calculated Property |
| Cp,gas | 647.03 | J/mol×K | 793.45 | Joback Calculated Property |
| Cp,gas | 658.50 | J/mol×K | 823.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 2-fluoroethyl ester.
Sources
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