- InChI
- InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h12-14H,7-8,10-11H2,1-5H3
- InChI Key
- LDTPQGDJTGVNBE-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OC(C)C(
C)C - Molecular Weight1
- 282.38
- 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° | -188.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -606.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.51 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 3.089 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | [1800.00; 1800.00] |
|
|
| Inp | 1800.00 | NIST | |
| Inp | 1800.00 | NIST | |
| Tboil | 725.74 | K | Joback Calculated Property |
| Tc | 922.55 | K | Joback Calculated Property |
| Tfus | 475.50 | K | Joback Calculated Property |
| Vc | 0.923 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.57; 775.56] | J/mol×K | [725.74; 922.55] |
|
| Cp,gas | 689.57 | J/mol×K | 725.74 | Joback Calculated Property |
| Cp,gas | 706.24 | J/mol×K | 758.54 | Joback Calculated Property |
| Cp,gas | 721.97 | J/mol×K | 791.34 | Joback Calculated Property |
| Cp,gas | 736.76 | J/mol×K | 824.14 | Joback Calculated Property |
| Cp,gas | 750.61 | J/mol×K | 856.95 | Joback Calculated Property |
| Cp,gas | 763.55 | J/mol×K | 889.75 | Joback Calculated Property |
| Cp,gas | 775.56 | J/mol×K | 922.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 3-methylbut-2-yl ester.
Sources
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