- InChI
- InChI=1S/C16H30O4/c1-7-8-9-10-11-19-13(17)16(5,6)14(18)20-12-15(2,3)4/h7-12H2,1-6H3
- InChI Key
- SXWZOARAXWPTRG-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CCCCCCOC(=O)C(C)(C)C(=O)OCC(C)
(C)C - Molecular Weight1
- 286.41
- 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° | -378.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen Calculated Property | |
| logPoct/wat | 3.725 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1452.35 | kPa | Joback Calculated Property |
| Inp | [1642.00; 1642.00] |
|
|
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 711.60 | K | Joback Calculated Property |
| Tc | 899.93 | K | Joback Calculated Property |
| Tfus | 419.24 | K | Joback Calculated Property |
| Vc | 0.958 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [737.83; 827.34] | J/mol×K | [711.60; 899.93] |
|
| Cp,gas | 737.83 | J/mol×K | 711.60 | Joback Calculated Property |
| Cp,gas | 755.07 | J/mol×K | 742.99 | Joback Calculated Property |
| Cp,gas | 771.33 | J/mol×K | 774.38 | Joback Calculated Property |
| Cp,gas | 786.65 | J/mol×K | 805.77 | Joback Calculated Property |
| Cp,gas | 801.07 | J/mol×K | 837.16 | Joback Calculated Property |
| Cp,gas | 814.62 | J/mol×K | 868.55 | Joback Calculated Property |
| Cp,gas | 827.34 | J/mol×K | 899.93 | Joback Calculated Property |
| η | [0.0000647; 0.0012657] | Pa×s | [419.24; 711.60] |
|
| η | 0.0012657 | Pa×s | 419.24 | Joback Calculated Property |
| η | 0.0005957 | Pa×s | 467.97 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 516.69 | Joback Calculated Property |
| η | 0.0001948 | Pa×s | 565.42 | Joback Calculated Property |
| η | 0.0001273 | Pa×s | 614.15 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 662.87 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 711.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, hexyl neopentyl ester.
Sources
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