- InChI
- InChI=1S/C19H30O4/c1-6-9-16(5)17(13-12-15(3)4)23-19(21)11-8-10-18(20)22-14-7-2/h16-17H,3,6-11,14H2,1-2,4-5H3
- InChI Key
- YZRKGDUOBYZKPB-UHFFFAOYSA-N
- Formula
- C19H30O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OCCC)
C(C)CCC - Molecular Weight1
- 322.44
- 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 | 0.7642 | Relay (... Calculated Property | |
| ΔfG° | -81.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -3.99 | Relay (... Calculated Property | |
| logPoct/wat | 4.037 | Crippen Calculated Property | |
| McVol | 280.550 | ml/mol | McGowan Calculated Property |
| Pc | 1344.71 | kPa | Joback Calculated Property |
| Inp | 2069.00 | NIST | |
| Tboil | 585.06 | K | Relay (... Calculated Property |
| Tc | 761.50 | K | Relay (... Calculated Property |
| Tfus | 262.78 | K | Relay (... Calculated Property |
| Vc | 1.002 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [834.68; 921.45] | J/mol×K | [791.38; 987.58] | 
|
| Cp,gas | 834.68 | J/mol×K | 791.38 | Joback Calculated Property |
| Cp,gas | 851.65 | J/mol×K | 824.08 | Joback Calculated Property |
| Cp,gas | 867.60 | J/mol×K | 856.78 | Joback Calculated Property |
| Cp,gas | 882.54 | J/mol×K | 889.48 | Joback Calculated Property |
| Cp,gas | 896.48 | J/mol×K | 922.18 | Joback Calculated Property |
| Cp,gas | 909.45 | J/mol×K | 954.88 | Joback Calculated Property |
| Cp,gas | 921.45 | J/mol×K | 987.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester.
Sources
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