- InChI
- InChI=1S/C16H26O4/c1-6-9-13(7-2)20-15(18)11-8-10-14(17)19-12-16(3,4)5/h13H,7-8,10-12H2,1-5H3
- InChI Key
- CWYIPKPQIOVVBI-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° | -180.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.99 | 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 | 1632.49 | kPa | Joback Calculated Property |
| Inp | [1812.00; 1812.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Tboil | 723.39 | K | Joback Calculated Property |
| Tc | 922.55 | K | Joback Calculated Property |
| Tfus | 507.92 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.74; 776.09] | J/mol×K | [723.39; 922.55] |
|
| Cp,gas | 690.74 | J/mol×K | 723.39 | Joback Calculated Property |
| Cp,gas | 707.30 | J/mol×K | 756.58 | Joback Calculated Property |
| Cp,gas | 722.91 | J/mol×K | 789.78 | Joback Calculated Property |
| Cp,gas | 737.56 | J/mol×K | 822.97 | Joback Calculated Property |
| Cp,gas | 751.30 | J/mol×K | 856.17 | Joback Calculated Property |
| Cp,gas | 764.13 | J/mol×K | 889.36 | Joback Calculated Property |
| Cp,gas | 776.09 | J/mol×K | 922.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl neopentyl ester.
Sources
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