- InChI
- InChI=1S/C15H20O4/c1-5-9-13(7-3)19-15(17)11-8-10-14(16)18-12(4)6-2/h2,12-13H,7-8,10-11H2,1,3-4H3
- InChI Key
- RMQGRIRMTUSBHJ-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OC(C#CC)C
C - Molecular Weight1
- 264.32
- 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° | 28.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.53 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 2.067 | Crippen Calculated Property | |
| McVol | 219.890 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 693.42 | K | Joback Calculated Property |
| Tc | 899.12 | K | Joback Calculated Property |
| Tfus | 526.20 | K | Joback Calculated Property |
| Vc | 0.836 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.46; 663.19] | J/mol×K | [693.42; 899.12] |
|
| Cp,gas | 585.46 | J/mol×K | 693.42 | Joback Calculated Property |
| Cp,gas | 600.53 | J/mol×K | 727.70 | Joback Calculated Property |
| Cp,gas | 614.74 | J/mol×K | 761.99 | Joback Calculated Property |
| Cp,gas | 628.10 | J/mol×K | 796.27 | Joback Calculated Property |
| Cp,gas | 640.63 | J/mol×K | 830.55 | Joback Calculated Property |
| Cp,gas | 652.32 | J/mol×K | 864.83 | Joback Calculated Property |
| Cp,gas | 663.19 | J/mol×K | 899.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester.
Sources
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