- InChI
- InChI=1S/C17H28O4/c1-5-10-14(7-3)20-16(18)12-9-13-17(19)21-15(8-4)11-6-2/h14-15H,5,7-10,12-13H2,1-4H3
- InChI Key
- XSFIRLSOJMAYLF-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OC(CC)C
CC - Molecular Weight1
- 296.40
- 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 | 0.7371 | Relay (... Calculated Property | |
| ΔfG° | -177.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.94 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -3.64 | Relay (... Calculated Property | |
| logPoct/wat | 3.624 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1499.99 | kPa | Joback Calculated Property |
| Inp | [1883.00; 1883.00] |
|
|
| Inp | 1883.00 | NIST | |
| Inp | 1883.00 | NIST | |
| Tboil | 566.77 | K | Relay (... Calculated Property |
| Tc | 751.33 | K | Relay (... Calculated Property |
| Tfus | 263.28 | K | Relay (... Calculated Property |
| Vc | 0.926 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.50; 831.91] | J/mol×K | [749.06; 942.12] |
|
| Cp,gas | 745.50 | J/mol×K | 749.06 | Joback Calculated Property |
| Cp,gas | 762.25 | J/mol×K | 781.24 | Joback Calculated Property |
| Cp,gas | 778.05 | J/mol×K | 813.41 | Joback Calculated Property |
| Cp,gas | 792.91 | J/mol×K | 845.59 | Joback Calculated Property |
| Cp,gas | 806.83 | J/mol×K | 877.77 | Joback Calculated Property |
| Cp,gas | 819.83 | J/mol×K | 909.94 | Joback Calculated Property |
| Cp,gas | 831.91 | J/mol×K | 942.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 3-hexyl ester.
Sources
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