- InChI
- InChI=1S/C16H28O4/c1-11(2)10-19-14(17)16(4,5)15(18)20-13-8-6-12(3)7-9-13/h11-13H,6-10H2,1-5H3
- InChI Key
- DUAMWUBVOSLGCE-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)OC1CCC
(C)CC1 - Molecular Weight1
- 284.39
- 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° | -366.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 240.320 | ml/mol | McGowan Calculated Property |
| Pc | 1648.43 | kPa | Joback Calculated Property |
| Inp | 1760.00 | NIST | |
| Tboil | 729.27 | K | Joback Calculated Property |
| Tc | 936.90 | K | Joback Calculated Property |
| Tfus | 404.96 | K | Joback Calculated Property |
| Vc | 0.894 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.80; 832.32] | J/mol×K | [729.27; 936.90] | 
|
| Cp,gas | 733.80 | J/mol×K | 729.27 | Joback Calculated Property |
| Cp,gas | 753.42 | J/mol×K | 763.87 | Joback Calculated Property |
| Cp,gas | 771.73 | J/mol×K | 798.48 | Joback Calculated Property |
| Cp,gas | 788.74 | J/mol×K | 833.08 | Joback Calculated Property |
| Cp,gas | 804.50 | J/mol×K | 867.69 | Joback Calculated Property |
| Cp,gas | 819.02 | J/mol×K | 902.29 | Joback Calculated Property |
| Cp,gas | 832.32 | J/mol×K | 936.90 | Joback Calculated Property |
| η | [0.0000915; 0.0017904] | Pa×s | [404.96; 729.27] |
|
| η | 0.0017904 | Pa×s | 404.96 | Joback Calculated Property |
| η | 0.0008145 | Pa×s | 459.01 | Joback Calculated Property |
| η | 0.0004374 | Pa×s | 513.06 | Joback Calculated Property |
| η | 0.0002645 | Pa×s | 567.12 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 621.17 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 675.22 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 729.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl trans-4-methylcyclohexyl ester.
Sources
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