- InChI
- InChI=1S/C16H19FO4/c17-13-8-3-4-9-14(13)21-16(19)11-5-10-15(18)20-12-6-1-2-7-12/h3-4,8-9,12H,1-2,5-7,10-11H2
- InChI Key
- XYOMBWIEOLOTBP-UHFFFAOYSA-N
- Formula
- C16H19FO4
- SMILES
-
O=C(CCCC(=O)OC1CCCC1)Oc1ccccc1
F - Molecular Weight1
- 294.32
- 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° | -439.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 3.387 | Crippen Calculated Property | |
| McVol | 218.330 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 764.27 | K | Joback Calculated Property |
| Tc | 979.67 | K | Joback Calculated Property |
| Tfus | 464.83 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.50; 723.42] | J/mol×K | [764.27; 979.67] |
|
| Cp,gas | 646.50 | J/mol×K | 764.27 | Joback Calculated Property |
| Cp,gas | 662.21 | J/mol×K | 800.17 | Joback Calculated Property |
| Cp,gas | 676.72 | J/mol×K | 836.07 | Joback Calculated Property |
| Cp,gas | 690.07 | J/mol×K | 871.97 | Joback Calculated Property |
| Cp,gas | 702.29 | J/mol×K | 907.87 | Joback Calculated Property |
| Cp,gas | 713.39 | J/mol×K | 943.77 | Joback Calculated Property |
| Cp,gas | 723.42 | J/mol×K | 979.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclopentyl 2-fluorophenyl ester.
Sources
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