- InChI
- InChI=1S/C20H32O4/c1-13(2)14(3)24-19(22)8-6-7-18(21)23-12-15-9-10-16-11-17(15)20(16,4)5/h9,13-14,16-17H,6-8,10-12H2,1-5H3
- InChI Key
- IJSKQCHCEDUKJI-UHFFFAOYSA-N
- Formula
- C20H32O4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)OCC1=CC
C2CC1C2(C)C - Molecular Weight1
- 336.47
- 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° | -238.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.280 | Crippen Calculated Property | |
| McVol | 281.520 | ml/mol | McGowan Calculated Property |
| Pc | 1359.63 | kPa | Joback Calculated Property |
| Inp | [2207.00; 2207.00] |
|
|
| Inp | 2207.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Tboil | 826.16 | K | Joback Calculated Property |
| Tc | 1030.51 | K | Joback Calculated Property |
| Tfus | 494.78 | K | Joback Calculated Property |
| Vc | 1.081 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [913.77; 1023.93] | J/mol×K | [826.16; 1030.51] |
|
| Cp,gas | 913.77 | J/mol×K | 826.16 | Joback Calculated Property |
| Cp,gas | 933.29 | J/mol×K | 860.22 | Joback Calculated Property |
| Cp,gas | 952.19 | J/mol×K | 894.28 | Joback Calculated Property |
| Cp,gas | 970.58 | J/mol×K | 928.33 | Joback Calculated Property |
| Cp,gas | 988.58 | J/mol×K | 962.39 | Joback Calculated Property |
| Cp,gas | 1006.32 | J/mol×K | 996.45 | Joback Calculated Property |
| Cp,gas | 1023.93 | J/mol×K | 1030.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, myrtenyl 3-methylbut-2-yl ester.
Sources
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