- InChI
- InChI=1S/C13H19FO4/c1-3-6-11(4-2)18-13(16)8-5-7-12(15)17-10-9-14/h11H,4-5,7-10H2,1-2H3
- InChI Key
- BECHCUNYJRPELH-UHFFFAOYSA-N
- Formula
- C13H19FO4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OCCF
- Molecular Weight1
- 258.29
- 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° | -403.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.79 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.014 | Crippen Calculated Property | |
| McVol | 202.080 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | [1671.00; 1671.00] |
|
|
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Tboil | 657.25 | K | Joback Calculated Property |
| Tc | 846.01 | K | Joback Calculated Property |
| Tfus | 472.28 | K | Joback Calculated Property |
| Vc | 0.785 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.43; 609.14] | J/mol×K | [657.25; 846.01] |
|
| Cp,gas | 534.43 | J/mol×K | 657.25 | Joback Calculated Property |
| Cp,gas | 548.62 | J/mol×K | 688.71 | Joback Calculated Property |
| Cp,gas | 562.12 | J/mol×K | 720.17 | Joback Calculated Property |
| Cp,gas | 574.92 | J/mol×K | 751.63 | Joback Calculated Property |
| Cp,gas | 587.02 | J/mol×K | 783.09 | Joback Calculated Property |
| Cp,gas | 598.43 | J/mol×K | 814.55 | Joback Calculated Property |
| Cp,gas | 609.14 | J/mol×K | 846.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester.
Sources
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