- InChI
- InChI=1S/C21H32O6/c1-6-9-10-11-15-26-19(22)21(7-2,8-3)20(23)27-18-16(24-4)13-12-14-17(18)25-5/h12-14H,6-11,15H2,1-5H3
- InChI Key
- SDKCPEGTXPMWRU-UHFFFAOYSA-N
- Formula
- C21H32O6
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
(OC)cccc1OC - Molecular Weight1
- 380.48
- 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° | -455.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.539 | Crippen Calculated Property | |
| McVol | 309.610 | ml/mol | McGowan Calculated Property |
| Pc | 1225.98 | kPa | Joback Calculated Property |
| Inp | [2489.00; 2489.00] |
|
|
| Inp | 2489.00 | NIST | |
| Inp | 2489.00 | NIST | |
| Tboil | 910.71 | K | Joback Calculated Property |
| Tc | 1120.29 | K | Joback Calculated Property |
| Tfus | 569.09 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [995.64; 1066.07] | J/mol×K | [910.71; 1120.29] |
|
| Cp,gas | 995.64 | J/mol×K | 910.71 | Joback Calculated Property |
| Cp,gas | 1010.80 | J/mol×K | 945.64 | Joback Calculated Property |
| Cp,gas | 1024.57 | J/mol×K | 980.57 | Joback Calculated Property |
| Cp,gas | 1036.97 | J/mol×K | 1015.50 | Joback Calculated Property |
| Cp,gas | 1048.01 | J/mol×K | 1050.43 | Joback Calculated Property |
| Cp,gas | 1057.71 | J/mol×K | 1085.36 | Joback Calculated Property |
| Cp,gas | 1066.07 | J/mol×K | 1120.29 | Joback Calculated Property |
| η | [0.0000208; 0.0002013] | Pa×s | [569.09; 910.71] |
|
| η | 0.0002013 | Pa×s | 569.09 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 626.03 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 682.96 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 739.90 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 796.84 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 853.77 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 910.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl hexyl ester.
Sources
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