- InChI
- InChI=1S/C19H36O4/c1-7-9-12-16(8-2)14-23-18(21)19(5,6)17(20)22-13-10-11-15(3)4/h15-16H,7-14H2,1-6H3
- InChI Key
- PXJNNGOFQABAOR-UHFFFAOYSA-N
- Formula
- C19H36O4
- SMILES
-
CCCCC(CC)COC(=O)C(C)(C)C(=O)OC
CCC(C)C - Molecular Weight1
- 328.49
- 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° | -360.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 4.752 | Crippen Calculated Property | |
| McVol | 293.450 | ml/mol | McGowan Calculated Property |
| Pc | 1176.85 | kPa | Joback Calculated Property |
| Inp | [1906.00; 1906.00] |
|
|
| Inp | 1906.00 | NIST | |
| Inp | 1906.00 | NIST | |
| Tboil | 782.59 | K | Joback Calculated Property |
| Tc | 969.42 | K | Joback Calculated Property |
| Tfus | 420.63 | K | Joback Calculated Property |
| Vc | 1.125 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.15; 1005.05] | J/mol×K | [782.59; 969.42] |
|
| Cp,gas | 911.15 | J/mol×K | 782.59 | Joback Calculated Property |
| Cp,gas | 929.33 | J/mol×K | 813.73 | Joback Calculated Property |
| Cp,gas | 946.47 | J/mol×K | 844.87 | Joback Calculated Property |
| Cp,gas | 962.57 | J/mol×K | 876.00 | Joback Calculated Property |
| Cp,gas | 977.69 | J/mol×K | 907.14 | Joback Calculated Property |
| Cp,gas | 991.84 | J/mol×K | 938.28 | Joback Calculated Property |
| Cp,gas | 1005.05 | J/mol×K | 969.42 | Joback Calculated Property |
| η | [0.0000421; 0.0013462] | Pa×s | [420.63; 782.59] |
|
| η | 0.0013462 | Pa×s | 420.63 | Joback Calculated Property |
| η | 0.0005259 | Pa×s | 480.96 | Joback Calculated Property |
| η | 0.0002533 | Pa×s | 541.28 | Joback Calculated Property |
| η | 0.0001413 | Pa×s | 601.61 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 661.94 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 722.26 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 782.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-ethylhexyl isohexyl ester.
Sources
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