- InChI
- InChI=1S/C13H23FO4/c1-4-11(10(2)3)18-13(16)7-5-6-12(15)17-9-8-14/h10-11H,4-9H2,1-3H3
- InChI Key
- LAGOXVCCDCKUSW-UHFFFAOYSA-N
- Formula
- C13H23FO4
- SMILES
- CCC(OC(=O)CCCC(=O)OCCF)C(C)C
- Molecular Weight1
- 262.32
- 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° | -608.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1007.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.647 | Crippen Calculated Property | |
| McVol | 210.680 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| Inp | [1591.00; 1591.00] |
|
|
| Inp | 1591.00 | NIST | |
| Inp | 1591.00 | NIST | |
| Tboil | 647.81 | K | Joback Calculated Property |
| Tc | 823.38 | K | Joback Calculated Property |
| Tfus | 351.18 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.24; 657.30] | J/mol×K | [647.81; 823.38] |
|
| Cp,gas | 577.24 | J/mol×K | 647.81 | Joback Calculated Property |
| Cp,gas | 592.31 | J/mol×K | 677.07 | Joback Calculated Property |
| Cp,gas | 606.68 | J/mol×K | 706.33 | Joback Calculated Property |
| Cp,gas | 620.37 | J/mol×K | 735.59 | Joback Calculated Property |
| Cp,gas | 633.36 | J/mol×K | 764.85 | Joback Calculated Property |
| Cp,gas | 645.67 | J/mol×K | 794.11 | Joback Calculated Property |
| Cp,gas | 657.30 | J/mol×K | 823.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 2-fluoroethyl ester.
Sources
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