- InChI
- InChI=1S/C21H40O4/c1-16(2)10-7-12-18(5)24-20(22)14-9-15-21(23)25-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3
- InChI Key
- VECQLNNGQRPGQM-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CC(C)CCCC(C)OC(=O)CCCC(=O)OC(C
)CCCC(C)C - Molecular Weight1
- 356.54
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.9360 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1173.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.64 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.673 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 981.46 | kPa | Joback Calculated Property |
| Inp | [2234.00; 2234.00] |
|
|
| Inp | 2234.00 | NIST | |
| Inp | 2234.00 | NIST | |
| Tboil | 598.25 | K | Relay (1.0) Calculated Property |
| Tc | 767.68 | K | Relay (1.0) Calculated Property |
| Tfus | 259.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.220 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1014.56; 1112.21] | J/mol×K | [794.76; 978.23] |
|
| Cp,gas | 1014.56 | J/mol×K | 794.76 | Joback Calculated Property |
| Cp,gas | 1033.75 | J/mol×K | 825.34 | Joback Calculated Property |
| Cp,gas | 1051.75 | J/mol×K | 855.92 | Joback Calculated Property |
| Cp,gas | 1068.57 | J/mol×K | 886.49 | Joback Calculated Property |
| Cp,gas | 1084.25 | J/mol×K | 917.07 | Joback Calculated Property |
| Cp,gas | 1098.78 | J/mol×K | 947.65 | Joback Calculated Property |
| Cp,gas | 1112.21 | J/mol×K | 978.23 | Joback Calculated Property |
| η | [0.0000258; 0.0043079] | Pa×s | [351.09; 794.76] |
|
| η | 0.0043079 | Pa×s | 351.09 | Joback Calculated Property |
| η | 0.0008742 | Pa×s | 425.04 | Joback Calculated Property |
| η | 0.0002846 | Pa×s | 498.98 | Joback Calculated Property |
| η | 0.0001238 | Pa×s | 572.92 | Joback Calculated Property |
| η | 0.0000651 | Pa×s | 646.87 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 720.82 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 794.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(6-methylhept-2-yl) ester.
Sources
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