- InChI
- InChI=1S/C21H40O6/c1-11-21(12-2,17(22)26-15(3)13-24-19(5,6)7)18(23)27-16(4)14-25-20(8,9)10/h15-16H,11-14H2,1-10H3
- InChI Key
- VRGDRQIILBDECD-UHFFFAOYSA-N
- Formula
- C21H40O6
- SMILES
-
CCC(CC)(C(=O)OC(C)COC(C)(C)C)C
(=O)OC(C)COC(C)(C)C - Molecular Weight1
- 388.54
- 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° | -548.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1267.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.286 | Crippen Calculated Property | |
| McVol | 333.370 | ml/mol | McGowan Calculated Property |
| Pc | 1038.57 | kPa | Joback Calculated Property |
| Inp | [1993.00; 1993.00] |
|
|
| Inp | 1993.00 | NIST | |
| Inp | 1993.00 | NIST | |
| Tboil | 866.73 | K | Joback Calculated Property |
| Tc | 1067.49 | K | Joback Calculated Property |
| Tfus | 492.47 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.06; 1185.65] | J/mol×K | [866.73; 1067.49] |
|
| Cp,gas | 1096.06 | J/mol×K | 866.73 | Joback Calculated Property |
| Cp,gas | 1114.05 | J/mol×K | 900.19 | Joback Calculated Property |
| Cp,gas | 1130.75 | J/mol×K | 933.65 | Joback Calculated Property |
| Cp,gas | 1146.22 | J/mol×K | 967.11 | Joback Calculated Property |
| Cp,gas | 1160.49 | J/mol×K | 1000.57 | Joback Calculated Property |
| Cp,gas | 1173.61 | J/mol×K | 1034.03 | Joback Calculated Property |
| Cp,gas | 1185.65 | J/mol×K | 1067.49 | Joback Calculated Property |
| η | [0.0000103; 0.0003639] | Pa×s | [492.47; 866.73] |
|
| η | 0.0003639 | Pa×s | 492.47 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 554.85 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 617.22 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 679.60 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 741.98 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 804.35 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 866.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(1-tert-butyloxyprop-2-yl) ester.
Sources
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