- InChI
- InChI=1S/C14H17FO4/c1-10(2)18-13(16)8-5-9-14(17)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,5,8-9H2,1-2H3
- InChI Key
- XPGGZVFBXMRMFH-UHFFFAOYSA-N
- Formula
- C14H17FO4
- SMILES
- CC(C)OC(=O)CCCC(=O)Oc1ccccc1F
- Molecular Weight1
- 268.28
- 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° | -495.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -798.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 2.853 | Crippen Calculated Property | |
| McVol | 201.010 | ml/mol | McGowan Calculated Property |
| Pc | 2083.12 | kPa | Joback Calculated Property |
| Inp | [1762.00; 1762.00] |
|
|
| Inp | 1762.00 | NIST | |
| Inp | 1762.00 | NIST | |
| Tboil | 702.79 | K | Joback Calculated Property |
| Tc | 904.30 | K | Joback Calculated Property |
| Tfus | 416.39 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.41; 619.56] | J/mol×K | [702.79; 904.30] |
|
| Cp,gas | 548.41 | J/mol×K | 702.79 | Joback Calculated Property |
| Cp,gas | 562.43 | J/mol×K | 736.37 | Joback Calculated Property |
| Cp,gas | 575.58 | J/mol×K | 769.96 | Joback Calculated Property |
| Cp,gas | 587.86 | J/mol×K | 803.54 | Joback Calculated Property |
| Cp,gas | 599.28 | J/mol×K | 837.13 | Joback Calculated Property |
| Cp,gas | 609.84 | J/mol×K | 870.71 | Joback Calculated Property |
| Cp,gas | 619.56 | J/mol×K | 904.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-fluorophenyl isopropyl ester.
Sources
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