- InChI
- InChI=1S/C21H36O4/c1-4-6-11-18(5-2)15-24-20(22)13-9-14-21(23)25-16-19-12-8-7-10-17(19)3/h18H,4-16H2,1-3H3
- InChI Key
- MDLWGYAKHFTHRA-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCC(CC)COC(=O)CCCC(=O)OCC1=C
(C)CCCC1 - Molecular Weight1
- 352.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -301.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -862.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.84 | Crippen Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 306.470 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | [2419.00; 2419.00] |
|
|
| Inp | 2419.00 | NIST | |
| Inp | 2419.00 | NIST | |
| Tboil | 865.36 | K | Joback Calculated Property |
| Tc | 1066.89 | K | Joback Calculated Property |
| Tfus | 493.17 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [995.37; 1083.71] | J/mol×K | [865.36; 1066.89] |
|
| Cp,gas | 995.37 | J/mol×K | 865.36 | Joback Calculated Property |
| Cp,gas | 1013.26 | J/mol×K | 898.95 | Joback Calculated Property |
| Cp,gas | 1029.85 | J/mol×K | 932.54 | Joback Calculated Property |
| Cp,gas | 1045.17 | J/mol×K | 966.12 | Joback Calculated Property |
| Cp,gas | 1059.23 | J/mol×K | 999.71 | Joback Calculated Property |
| Cp,gas | 1072.07 | J/mol×K | 1033.30 | Joback Calculated Property |
| Cp,gas | 1083.71 | J/mol×K | 1066.89 | Joback Calculated Property |
| η | [0.0000372; 0.0006258] | Pa×s | [493.17; 865.36] |
|
| η | 0.0006258 | Pa×s | 493.17 | Joback Calculated Property |
| η | 0.0003006 | Pa×s | 555.20 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 617.23 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 679.26 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 741.30 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 803.33 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 865.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-ethylhexyl ester.
Sources
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