- InChI
- InChI=1S/C19H32O4/c1-4-7-8-9-10-11-16-22-18(20)14-12-15-19(21)23-17(6-3)13-5-2/h17H,4,6-12,14-16H2,1-3H3
- InChI Key
- QNJDFODNHFEGBB-UHFFFAOYSA-N
- Formula
- C19H32O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
CC - Molecular Weight1
- 324.45
- 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 | 0.8585 | Relay (... Calculated Property | |
| ΔfG° | -158.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.13 | kJ/mol | Relay (... Calculated Property |
| IE | 9.11 | eV | Relay (... Calculated Property |
| log10WS | -4.63 | Relay (... Calculated Property | |
| logPoct/wat | 4.405 | Crippen Calculated Property | |
| McVol | 284.850 | ml/mol | McGowan Calculated Property |
| Pc | 1292.07 | kPa | Joback Calculated Property |
| Inp | [2254.00; 2254.00] |
|
|
| Inp | 2254.00 | NIST | |
| Inp | 2254.00 | NIST | |
| Tboil | 595.10 | K | Relay (... Calculated Property |
| Tc | 781.01 | K | Relay (... Calculated Property |
| Tfus | 290.27 | K | Relay (... Calculated Property |
| Vc | 1.049 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.94; 949.02] | J/mol×K | [795.26; 986.26] |
|
| Cp,gas | 860.94 | J/mol×K | 795.26 | Joback Calculated Property |
| Cp,gas | 878.11 | J/mol×K | 827.09 | Joback Calculated Property |
| Cp,gas | 894.26 | J/mol×K | 858.93 | Joback Calculated Property |
| Cp,gas | 909.41 | J/mol×K | 890.76 | Joback Calculated Property |
| Cp,gas | 923.58 | J/mol×K | 922.59 | Joback Calculated Property |
| Cp,gas | 936.78 | J/mol×K | 954.42 | Joback Calculated Property |
| Cp,gas | 949.02 | J/mol×K | 986.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl octyl ester.
Sources
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