- InChI
- InChI=1S/C16H30O4/c1-12(2)9-8-10-19-13(17)16(6,7)14(18)20-11-15(3,4)5/h12H,8-11H2,1-7H3
- InChI Key
- JJFJHQHPSDVDJF-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)CCCOC(=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).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1039.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Inp | 1605.00 | NIST | |
| Tboil | 538.13 | K | Relay (1.0) Calculated Property |
| Tfus | 279.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.68; 816.78] | J/mol×K | [675.22; 861.68] | 
|
| Cp,gas | 723.68 | J/mol×K | 675.22 | Joback Calculated Property |
| Cp,gas | 741.79 | J/mol×K | 706.30 | Joback Calculated Property |
| Cp,gas | 758.81 | J/mol×K | 737.37 | Joback Calculated Property |
| Cp,gas | 774.79 | J/mol×K | 768.45 | Joback Calculated Property |
| Cp,gas | 789.75 | J/mol×K | 799.53 | Joback Calculated Property |
| Cp,gas | 803.73 | J/mol×K | 830.60 | Joback Calculated Property |
| Cp,gas | 816.78 | J/mol×K | 861.68 | Joback Calculated Property |
| η | [0.0000506; 0.0042383] | Pa×s | [344.58; 675.22] |
|
| η | 0.0042383 | Pa×s | 344.58 | Joback Calculated Property |
| η | 0.0012185 | Pa×s | 399.69 | Joback Calculated Property |
| η | 0.0004739 | Pa×s | 454.79 | Joback Calculated Property |
| η | 0.0002260 | Pa×s | 509.90 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 565.01 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 620.11 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 675.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl neopentyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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