- InChI
- InChI=1S/C16H30O4/c1-12(2)8-7-10-19-14(17)16(5,6)15(18)20-11-9-13(3)4/h12-13H,7-11H2,1-6H3
- InChI Key
- CKGBPYWHBQGZGV-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OCCC
(C)C - Molecular Weight1
- 286.41
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7424 | Relay (1.0) Calculated Property | |
| ΔfG° | -386.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1028.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1449.04 | kPa | Joback Calculated Property |
| Inp | 1660.00 | NIST | |
| Tboil | 544.68 | K | Relay (1.0) Calculated Property |
| Tc | 731.35 | K | Relay (1.0) Calculated Property |
| Tfus | 239.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.951 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.65; 826.83] | J/mol×K | [713.95; 900.32] | 
|
| Cp,gas | 736.65 | J/mol×K | 713.95 | Joback Calculated Property |
| Cp,gas | 753.98 | J/mol×K | 745.01 | Joback Calculated Property |
| Cp,gas | 770.36 | J/mol×K | 776.07 | Joback Calculated Property |
| Cp,gas | 785.81 | J/mol×K | 807.13 | Joback Calculated Property |
| Cp,gas | 800.36 | J/mol×K | 838.20 | Joback Calculated Property |
| Cp,gas | 814.03 | J/mol×K | 869.26 | Joback Calculated Property |
| Cp,gas | 826.83 | J/mol×K | 900.32 | Joback Calculated Property |
| η | [0.0000661; 0.0019778] | Pa×s | [386.82; 713.95] |
|
| η | 0.0019778 | Pa×s | 386.82 | Joback Calculated Property |
| η | 0.0007910 | Pa×s | 441.34 | Joback Calculated Property |
| η | 0.0003870 | Pa×s | 495.86 | Joback Calculated Property |
| η | 0.0002181 | Pa×s | 550.38 | Joback Calculated Property |
| η | 0.0001363 | Pa×s | 604.91 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 659.43 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 713.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl 3-methylbutyl ester.
Sources
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