- InChI
- InChI=1S/C21H40O4/c1-7-8-9-10-11-12-13-14-15-16-24-18(22)21(5,6)19(23)25-17-20(2,3)4/h7-17H2,1-6H3
- InChI Key
- VGPSEUWAQTUJLR-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)(C)C(=O)O
CC(C)(C)C - Molecular Weight1
- 356.54
- 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° | -336.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -983.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.85 | Crippen Calculated Property | |
| logPoct/wat | 5.676 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1037.90 | kPa | Joback Calculated Property |
| Inp | 2133.00 | NIST | |
| Tboil | 826.00 | K | Joback Calculated Property |
| Tc | 1016.84 | K | Joback Calculated Property |
| Tfus | 475.59 | K | Joback Calculated Property |
| Vc | 1.238 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.80; 1127.78] | J/mol×K | [826.00; 1016.84] | 
|
| Cp,gas | 1031.80 | J/mol×K | 826.00 | Joback Calculated Property |
| Cp,gas | 1050.40 | J/mol×K | 857.81 | Joback Calculated Property |
| Cp,gas | 1067.89 | J/mol×K | 889.61 | Joback Calculated Property |
| Cp,gas | 1084.33 | J/mol×K | 921.42 | Joback Calculated Property |
| Cp,gas | 1099.76 | J/mol×K | 953.23 | Joback Calculated Property |
| Cp,gas | 1114.22 | J/mol×K | 985.04 | Joback Calculated Property |
| Cp,gas | 1127.78 | J/mol×K | 1016.84 | Joback Calculated Property |
| η | [0.0000292; 0.0006649] | Pa×s | [475.59; 826.00] |
|
| η | 0.0006649 | Pa×s | 475.59 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 533.99 | Joback Calculated Property |
| η | 0.0001555 | Pa×s | 592.39 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 650.80 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 709.20 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 767.60 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 826.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, neopentyl undecyl ester.
Sources
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