- InChI
- InChI=1S/C16H26O4/c1-5-9-14(7-3)20-16(18)11-8-10-15(17)19-12-13(4)6-2/h13-14H,6-8,10-12H2,1-4H3
- InChI Key
- DQNHYWBDOAFVTC-UHFFFAOYSA-N
- Formula
- C16H26O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCC(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° | -186.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | [1878.00; 1878.00] |
|
|
| Inp | 1878.00 | NIST | |
| Inp | 1878.00 | NIST | |
| Tboil | 726.18 | K | Joback Calculated Property |
| Tc | 920.20 | K | Joback Calculated Property |
| Tfus | 490.50 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.06; 774.07] | J/mol×K | [726.18; 920.20] |
|
| Cp,gas | 689.06 | J/mol×K | 726.18 | Joback Calculated Property |
| Cp,gas | 705.48 | J/mol×K | 758.52 | Joback Calculated Property |
| Cp,gas | 720.99 | J/mol×K | 790.85 | Joback Calculated Property |
| Cp,gas | 735.60 | J/mol×K | 823.19 | Joback Calculated Property |
| Cp,gas | 749.31 | J/mol×K | 855.53 | Joback Calculated Property |
| Cp,gas | 762.13 | J/mol×K | 887.87 | Joback Calculated Property |
| Cp,gas | 774.07 | J/mol×K | 920.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-methylbutyl ester.
Sources
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