- InChI
- InChI=1S/C14H22O4/c1-4-8-12(6-3)18-14(16)10-7-9-13(15)17-11-5-2/h12H,5-7,9-11H2,1-3H3
- InChI Key
- FNGIVOGZPOXAIM-UHFFFAOYSA-N
- Formula
- C14H22O4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OCCC
- Molecular Weight1
- 254.32
- 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 | 0.6717 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.455 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1887.08 | kPa | Joback Calculated Property |
| Inp | 1770.00 | NIST | |
| Tboil | 545.71 | K | Relay (1.0) Calculated Property |
| Tc | 725.60 | K | Relay (1.0) Calculated Property |
| Tfus | 277.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.780 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.18; 659.36] | J/mol×K | [680.86; 875.06] | 
|
| Cp,gas | 579.18 | J/mol×K | 680.86 | Joback Calculated Property |
| Cp,gas | 594.51 | J/mol×K | 713.23 | Joback Calculated Property |
| Cp,gas | 609.05 | J/mol×K | 745.59 | Joback Calculated Property |
| Cp,gas | 622.81 | J/mol×K | 777.96 | Joback Calculated Property |
| Cp,gas | 635.78 | J/mol×K | 810.32 | Joback Calculated Property |
| Cp,gas | 647.96 | J/mol×K | 842.69 | Joback Calculated Property |
| Cp,gas | 659.36 | J/mol×K | 875.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl propyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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