- InChI
- InChI=1S/C14H22O4/c1-5-8-12(6-2)18-14(16)10-7-9-13(15)17-11(3)4/h11-12H,6-7,9-10H2,1-4H3
- InChI Key
- IWSGVRJOUPVCJO-UHFFFAOYSA-N
- Formula
- C14H22O4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OC(C)C
- Molecular Weight1
- 254.32
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -202.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.45 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.453 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [1643.00; 1643.00] |
|
|
| Inp | 1643.00 | NIST | |
| Inp | 1643.00 | NIST | |
| Tboil | 680.42 | K | Joback Calculated Property |
| Tc | 877.79 | K | Joback Calculated Property |
| Tfus | 467.96 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.67; 661.00] | J/mol×K | [680.42; 877.79] |
|
| Cp,gas | 579.67 | J/mol×K | 680.42 | Joback Calculated Property |
| Cp,gas | 595.28 | J/mol×K | 713.32 | Joback Calculated Property |
| Cp,gas | 610.07 | J/mol×K | 746.21 | Joback Calculated Property |
| Cp,gas | 624.03 | J/mol×K | 779.11 | Joback Calculated Property |
| Cp,gas | 637.17 | J/mol×K | 812.00 | Joback Calculated Property |
| Cp,gas | 649.50 | J/mol×K | 844.90 | Joback Calculated Property |
| Cp,gas | 661.00 | J/mol×K | 877.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl isopropyl ester.
Sources
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