- InChI
- InChI=1S/C19H32O4/c1-5-9-12-16(7-3)15-22-18(20)13-10-14-19(21)23-17(8-4)11-6-2/h16-17H,5,7-10,12-15H2,1-4H3
- InChI Key
- BLGYWIHFZXBUJM-UHFFFAOYSA-N
- Formula
- C19H32O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCC(CC)
CCCC - 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 | 0.8008 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.261 | Crippen Calculated Property | |
| McVol | 284.850 | ml/mol | McGowan Calculated Property |
| Pc | 1299.53 | kPa | Joback Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 594.70 | K | Relay (1.0) Calculated Property |
| Tc | 775.92 | K | Relay (1.0) Calculated Property |
| Tfus | 253.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.45; 950.08] | J/mol×K | [794.82; 987.61] |
|
| Cp,gas | 861.45 | J/mol×K | 794.82 | Joback Calculated Property |
| Cp,gas | 878.77 | J/mol×K | 826.95 | Joback Calculated Property |
| Cp,gas | 895.06 | J/mol×K | 859.08 | Joback Calculated Property |
| Cp,gas | 910.32 | J/mol×K | 891.21 | Joback Calculated Property |
| Cp,gas | 924.57 | J/mol×K | 923.34 | Joback Calculated Property |
| Cp,gas | 937.82 | J/mol×K | 955.48 | Joback Calculated Property |
| Cp,gas | 950.08 | J/mol×K | 987.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester.
Sources
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