- InChI
- InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3
- InChI Key
- CLPHAYNBNTVRDI-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
- Molecular Weight1
- 216.27
- CAS
- 541-16-2
- Other Names
-
- bis(1,1-dimethylethyl) malonate
- bis(1,1-dimethylethyl) propanedioate
- di-t-Butylmalonate
- malonic acid, di-tert-butyl ester
- propanedioic acid, bis(1,1-dimethylethyl) ester
- tert-butyl malonate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -420.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [60.41; 66.29] | kJ/mol |
|
| ΔfusH° | 66.29 | kJ/mol | Vapour ... |
| ΔfusH° | 66.07 | kJ/mol | Vapour ... |
| ΔfusH° | 65.73 | kJ/mol | Vapour ... |
| ΔfusH° | 65.39 | kJ/mol | Vapour ... |
| ΔfusH° | 65.17 | kJ/mol | Vapour ... |
| ΔfusH° | 64.83 | kJ/mol | Vapour ... |
| ΔfusH° | 64.60 | kJ/mol | Vapour ... |
| ΔfusH° | 64.37 | kJ/mol | Vapour ... |
| ΔfusH° | 64.14 | kJ/mol | Vapour ... |
| ΔfusH° | 63.80 | kJ/mol | Vapour ... |
| ΔfusH° | 63.58 | kJ/mol | Vapour ... |
| ΔfusH° | 63.35 | kJ/mol | Vapour ... |
| ΔfusH° | 63.12 | kJ/mol | Vapour ... |
| ΔfusH° | 62.90 | kJ/mol | Vapour ... |
| ΔfusH° | 62.78 | kJ/mol | Vapour ... |
| ΔfusH° | 62.45 | kJ/mol | Vapour ... |
| ΔfusH° | 61.77 | kJ/mol | Vapour ... |
| ΔfusH° | 61.44 | kJ/mol | Vapour ... |
| ΔfusH° | 61.10 | kJ/mol | Vapour ... |
| ΔfusH° | 60.76 | kJ/mol | Vapour ... |
| ΔfusH° | 60.41 | kJ/mol | Vapour ... |
| ΔvapH° | 55.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.38 | Crippen Calculated Property | |
| logPoct/wat | 2.060 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Tboil | 597.20 | K | Joback Calculated Property |
| Tc | 794.92 | K | Joback Calculated Property |
| Tfus | 362.89 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.37; 550.41] | J/mol×K | [597.20; 794.92] |
|
| Cp,gas | 471.37 | J/mol×K | 597.20 | Joback Calculated Property |
| Cp,gas | 486.63 | J/mol×K | 630.15 | Joback Calculated Property |
| Cp,gas | 501.01 | J/mol×K | 663.11 | Joback Calculated Property |
| Cp,gas | 514.56 | J/mol×K | 696.06 | Joback Calculated Property |
| Cp,gas | 527.28 | J/mol×K | 729.01 | Joback Calculated Property |
| Cp,gas | 539.22 | J/mol×K | 761.97 | Joback Calculated Property |
| Cp,gas | 550.41 | J/mol×K | 794.92 | Joback Calculated Property |
| η | [0.0001359; 0.0021736] | Pa×s | [362.89; 597.20] |
|
| η | 0.0021736 | Pa×s | 362.89 | Joback Calculated Property |
| η | 0.0010941 | Pa×s | 401.94 | Joback Calculated Property |
| η | 0.0006219 | Pa×s | 440.99 | Joback Calculated Property |
| η | 0.0003876 | Pa×s | 480.05 | Joback Calculated Property |
| η | 0.0002593 | Pa×s | 519.10 | Joback Calculated Property |
| η | 0.0001836 | Pa×s | 558.15 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 597.20 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 383.70 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to di-tert-Butyl malonate.
Sources
- Crippen Method
- Crippen Method
- Vapour pressure and enthalpy of vaporization of di-iso-propyl and di-tert-butyl esters of dicarboxylic acids
- Joback Method
- McGowan Method
- NIST Webbook
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