- InChI
- InChI=1S/C18H30O5/c1-5-8-16(6-2)23-18(20)10-7-9-17(19)22-14-12-15(3)11-13-21-4/h15-16H,6-7,9-14H2,1-4H3
- InChI Key
- XMXVJZOWFJIWID-UHFFFAOYSA-N
- Formula
- C18H30O5
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCC(C)
CCOC - Molecular Weight1
- 326.43
- 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° | -274.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.108 | Crippen Calculated Property | |
| McVol | 276.630 | ml/mol | McGowan Calculated Property |
| Pc | 1376.84 | kPa | Joback Calculated Property |
| Inp | [2158.00; 2158.00] |
|
|
| Inp | 2158.00 | NIST | |
| Inp | 2158.00 | NIST | |
| Tboil | 794.36 | K | Joback Calculated Property |
| Tc | 987.61 | K | Joback Calculated Property |
| Tfus | 535.27 | K | Joback Calculated Property |
| Vc | 1.060 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.87; 917.32] | J/mol×K | [794.36; 987.61] |
|
| Cp,gas | 832.87 | J/mol×K | 794.36 | Joback Calculated Property |
| Cp,gas | 849.56 | J/mol×K | 826.57 | Joback Calculated Property |
| Cp,gas | 865.20 | J/mol×K | 858.78 | Joback Calculated Property |
| Cp,gas | 879.80 | J/mol×K | 890.98 | Joback Calculated Property |
| Cp,gas | 893.35 | J/mol×K | 923.19 | Joback Calculated Property |
| Cp,gas | 905.86 | J/mol×K | 955.40 | Joback Calculated Property |
| Cp,gas | 917.32 | J/mol×K | 987.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester.
Sources
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