- InChI
- InChI=1S/C14H19F3O4/c1-4-7-11(5-2)21-13(19)9-6-8-12(18)20-10(3)14(15,16)17/h10-11H,5-6,8-9H2,1-3H3
- InChI Key
- JZFJTNXZHWECCJ-UHFFFAOYSA-N
- Formula
- C14H19F3O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OC(C)C(
F)(F)F - Molecular Weight1
- 308.29
- 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° | -784.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1157.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 2.996 | Crippen Calculated Property | |
| McVol | 219.710 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Inp | [1527.00; 1527.00] |
|
|
| Inp | 1527.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Tboil | 675.00 | K | Joback Calculated Property |
| Tc | 859.82 | K | Joback Calculated Property |
| Tfus | 472.15 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.20; 680.20] | J/mol×K | [675.00; 859.82] |
|
| Cp,gas | 606.20 | J/mol×K | 675.00 | Joback Calculated Property |
| Cp,gas | 620.44 | J/mol×K | 705.80 | Joback Calculated Property |
| Cp,gas | 633.90 | J/mol×K | 736.61 | Joback Calculated Property |
| Cp,gas | 646.59 | J/mol×K | 767.41 | Joback Calculated Property |
| Cp,gas | 658.52 | J/mol×K | 798.21 | Joback Calculated Property |
| Cp,gas | 669.72 | J/mol×K | 829.01 | Joback Calculated Property |
| Cp,gas | 680.20 | J/mol×K | 859.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 1,1,1-trifluoroprop-2-yl ester.
Sources
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