- InChI
- InChI=1S/C19H32O4/c1-7-8-10-17(13-14(2)3)23-19(21)12-9-11-18(20)22-16(6)15(4)5/h14-17H,7,9,11-13H2,1-6H3
- InChI Key
- ZBSSYDBKPNLZAS-UHFFFAOYSA-N
- Formula
- C19H32O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
(C)C(C)C - Molecular Weight1
- 324.45
- 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° | -165.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.116 | Crippen Calculated Property | |
| McVol | 284.850 | ml/mol | McGowan Calculated Property |
| Pc | 1314.65 | kPa | Joback Calculated Property |
| Inp | [1980.00; 1980.00] |
|
|
| Inp | 1980.00 | NIST | |
| Inp | 1980.00 | NIST | |
| Tboil | 793.94 | K | Joback Calculated Property |
| Tc | 990.72 | K | Joback Calculated Property |
| Tfus | 494.31 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [862.46; 952.33] | J/mol×K | [793.94; 990.72] |
|
| Cp,gas | 862.46 | J/mol×K | 793.94 | Joback Calculated Property |
| Cp,gas | 880.15 | J/mol×K | 826.74 | Joback Calculated Property |
| Cp,gas | 896.73 | J/mol×K | 859.53 | Joback Calculated Property |
| Cp,gas | 912.23 | J/mol×K | 892.33 | Joback Calculated Property |
| Cp,gas | 926.65 | J/mol×K | 925.12 | Joback Calculated Property |
| Cp,gas | 940.01 | J/mol×K | 957.92 | Joback Calculated Property |
| Cp,gas | 952.33 | J/mol×K | 990.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-methyloct-5-yn-4-yl ester.
Sources
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