- InChI
- InChI=1S/C21H40O4/c1-16(12-20(3,4)5)14-24-18(22)10-9-11-19(23)25-15-17(2)13-21(6,7)8/h16-17H,9-15H2,1-8H3
- InChI Key
- ARWFUUWYTHXGTH-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CC(COC(=O)CCCC(=O)OCC(C)CC(C)(
C)C)CC(C)(C)C - Molecular Weight1
- 356.54
- 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° | -341.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -994.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.37 | Crippen Calculated Property | |
| logPoct/wat | 5.388 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1048.69 | kPa | Joback Calculated Property |
| Inp | 2229.00 | NIST | |
| Tboil | 825.12 | K | Joback Calculated Property |
| Tc | 1018.48 | K | Joback Calculated Property |
| Tfus | 445.59 | K | Joback Calculated Property |
| Vc | 1.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.76; 1129.45] | J/mol×K | [825.12; 1018.48] | 
|
| Cp,gas | 1032.76 | J/mol×K | 825.12 | Joback Calculated Property |
| Cp,gas | 1051.59 | J/mol×K | 857.35 | Joback Calculated Property |
| Cp,gas | 1069.27 | J/mol×K | 889.57 | Joback Calculated Property |
| Cp,gas | 1085.85 | J/mol×K | 921.80 | Joback Calculated Property |
| Cp,gas | 1101.37 | J/mol×K | 954.03 | Joback Calculated Property |
| Cp,gas | 1115.89 | J/mol×K | 986.25 | Joback Calculated Property |
| Cp,gas | 1129.45 | J/mol×K | 1018.48 | Joback Calculated Property |
| η | [0.0000246; 0.0009900] | Pa×s | [445.59; 825.12] |
|
| η | 0.0009900 | Pa×s | 445.59 | Joback Calculated Property |
| η | 0.0003645 | Pa×s | 508.85 | Joback Calculated Property |
| η | 0.0001674 | Pa×s | 572.10 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 635.36 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 698.61 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 761.87 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 825.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2,4,4-trimethylpentyl) ester.
Sources
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