- InChI
- InChI=1S/C17H19FO4/c1-3-7-14(4-2)21-16(19)10-6-11-17(20)22-15-9-5-8-13(18)12-15/h5,8-9,12,14H,4,6,10-11H2,1-2H3
- InChI Key
- OEFBFBJWIXTRSM-UHFFFAOYSA-N
- Formula
- C17H19FO4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1cccc
(F)c1 - Molecular Weight1
- 306.33
- 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° | -267.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 3.246 | Crippen Calculated Property | |
| McVol | 234.680 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [2084.00; 2084.00] |
|
|
| Inp | 2084.00 | NIST | |
| Inp | 2084.00 | NIST | |
| Tboil | 780.43 | K | Joback Calculated Property |
| Tc | 993.22 | K | Joback Calculated Property |
| Tfus | 556.30 | K | Joback Calculated Property |
| Vc | 0.901 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.54; 734.66] | J/mol×K | [780.43; 993.22] |
|
| Cp,gas | 663.54 | J/mol×K | 780.43 | Joback Calculated Property |
| Cp,gas | 677.97 | J/mol×K | 815.89 | Joback Calculated Property |
| Cp,gas | 691.34 | J/mol×K | 851.36 | Joback Calculated Property |
| Cp,gas | 703.69 | J/mol×K | 886.82 | Joback Calculated Property |
| Cp,gas | 715.02 | J/mol×K | 922.29 | Joback Calculated Property |
| Cp,gas | 725.34 | J/mol×K | 957.75 | Joback Calculated Property |
| Cp,gas | 734.66 | J/mol×K | 993.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester.
Sources
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