- InChI
- InChI=1S/C17H17F3O4/c1-3-6-11(4-2)23-14(21)7-5-8-15(22)24-13-10-9-12(18)16(19)17(13)20/h9-11H,4-5,7-8H2,1-2H3
- InChI Key
- OILKXVQVVODLDP-UHFFFAOYSA-N
- Formula
- C17H17F3O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc(
F)c(F)c1F - Molecular Weight1
- 342.31
- 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 | 0.7584 | Relay (1.0) Calculated Property | |
| ΔfG° | -676.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.525 | Crippen Calculated Property | |
| McVol | 238.220 | ml/mol | McGowan Calculated Property |
| Pc | 1681.03 | kPa | Joback Calculated Property |
| Inp | [2028.00; 2028.00] |
|
|
| Inp | 2028.00 | NIST | |
| Inp | 2028.00 | NIST | |
| Tboil | 578.48 | K | Relay (1.0) Calculated Property |
| Tc | 783.93 | K | Relay (1.0) Calculated Property |
| Tfus | 320.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.70; 742.06] | J/mol×K | [788.93; 990.25] |
|
| Cp,gas | 676.70 | J/mol×K | 788.93 | Joback Calculated Property |
| Cp,gas | 689.88 | J/mol×K | 822.48 | Joback Calculated Property |
| Cp,gas | 702.15 | J/mol×K | 856.04 | Joback Calculated Property |
| Cp,gas | 713.50 | J/mol×K | 889.59 | Joback Calculated Property |
| Cp,gas | 723.93 | J/mol×K | 923.14 | Joback Calculated Property |
| Cp,gas | 733.45 | J/mol×K | 956.70 | Joback Calculated Property |
| Cp,gas | 742.06 | J/mol×K | 990.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2,3,4-trifluorophenyl ester.
Sources
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