- InChI
- InChI=1S/C17H28O4/c1-4-7-8-9-11-15(6-3)21-17(19)13-10-12-16(18)20-14-5-2/h15H,4-7,10-14H2,1-3H3
- InChI Key
- TUXLYNWZTHAAQB-UHFFFAOYSA-N
- Formula
- C17H28O4
- SMILES
- CCCC#CCC(CC)OC(=O)CCCC(=O)OCCC
- 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 | 0.7722 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.625 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1490.74 | kPa | Joback Calculated Property |
| Inp | 2021.00 | NIST | |
| Tboil | 577.77 | K | Relay (1.0) Calculated Property |
| Tc | 758.48 | K | Relay (1.0) Calculated Property |
| Tfus | 251.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.99; 830.58] | J/mol×K | [749.50; 940.19] | 
|
| Cp,gas | 744.99 | J/mol×K | 749.50 | Joback Calculated Property |
| Cp,gas | 761.52 | J/mol×K | 781.28 | Joback Calculated Property |
| Cp,gas | 777.14 | J/mol×K | 813.06 | Joback Calculated Property |
| Cp,gas | 791.84 | J/mol×K | 844.85 | Joback Calculated Property |
| Cp,gas | 805.64 | J/mol×K | 876.63 | Joback Calculated Property |
| Cp,gas | 818.55 | J/mol×K | 908.41 | Joback Calculated Property |
| Cp,gas | 830.58 | J/mol×K | 940.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, non-5-yn-3-yl propyl ester.
Sources
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