- InChI
- InChI=1S/C15H24O4/c1-4-7-12-18-14(16)10-8-11-15(17)19-13(6-3)9-5-2/h13H,4,6-8,10-12H2,1-3H3
- InChI Key
- UGMUENMAXVCGJG-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
- CC#CC(CC)OC(=O)CCCC(=O)OCCCC
- Molecular Weight1
- 268.35
- 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° | -192.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1739.01 | kPa | Joback Calculated Property |
| Inp | 1864.00 | NIST | |
| Tboil | 703.74 | K | Joback Calculated Property |
| Tc | 896.30 | K | Joback Calculated Property |
| Tfus | 494.23 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.25; 715.53] | J/mol×K | [703.74; 896.30] | 
|
| Cp,gas | 633.25 | J/mol×K | 703.74 | Joback Calculated Property |
| Cp,gas | 649.03 | J/mol×K | 735.83 | Joback Calculated Property |
| Cp,gas | 663.98 | J/mol×K | 767.93 | Joback Calculated Property |
| Cp,gas | 678.10 | J/mol×K | 800.02 | Joback Calculated Property |
| Cp,gas | 691.40 | J/mol×K | 832.12 | Joback Calculated Property |
| Cp,gas | 703.87 | J/mol×K | 864.21 | Joback Calculated Property |
| Cp,gas | 715.53 | J/mol×K | 896.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, butyl hex-4-yn-3-yl ester.
Sources
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