- InChI
- InChI=1S/C12H21FO4/c1-9(2)10(3)17-12(15)6-4-5-11(14)16-8-7-13/h9-10H,4-8H2,1-3H3
- InChI Key
- HXPOGEMLMJBKNG-UHFFFAOYSA-N
- Formula
- C12H21FO4
- SMILES
- CC(C)C(C)OC(=O)CCCC(=O)OCCF
- Molecular Weight1
- 248.29
- 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 | 0.7337 | Relay (1.0) Calculated Property | |
| ΔfG° | -617.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1126.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.257 | Crippen Calculated Property | |
| McVol | 196.590 | ml/mol | McGowan Calculated Property |
| Pc | 1878.90 | kPa | Joback Calculated Property |
| Inp | 1513.00 | NIST | |
| Tboil | 534.23 | K | Relay (1.0) Calculated Property |
| Tc | 703.34 | K | Relay (1.0) Calculated Property |
| Tfus | 248.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.85; 602.20] | J/mol×K | [624.93; 801.33] | 
|
| Cp,gas | 524.85 | J/mol×K | 624.93 | Joback Calculated Property |
| Cp,gas | 539.36 | J/mol×K | 654.33 | Joback Calculated Property |
| Cp,gas | 553.22 | J/mol×K | 683.73 | Joback Calculated Property |
| Cp,gas | 566.43 | J/mol×K | 713.13 | Joback Calculated Property |
| Cp,gas | 579.00 | J/mol×K | 742.53 | Joback Calculated Property |
| Cp,gas | 590.92 | J/mol×K | 771.93 | Joback Calculated Property |
| Cp,gas | 602.20 | J/mol×K | 801.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-fluoroethyl ester.
Sources
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