- InChI
- InChI=1S/C28H54O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31-25(29)28(5,6)26(30)32-24-27(2,3)4/h7-24H2,1-6H3
- InChI Key
- PFJSKCXVYUPHQV-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C
)C(=O)OCC(C)(C)C - Molecular Weight1
- 454.73
- 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° | -277.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1128.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.64 | kJ/mol | Joback Calculated Property |
| log10WS | -8.78 | Crippen Calculated Property | |
| logPoct/wat | 8.407 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 701.35 | kPa | Joback Calculated Property |
| Inp | 2823.00 | NIST | |
| Tboil | 986.16 | K | Joback Calculated Property |
| Tc | 1213.67 | K | Joback Calculated Property |
| Tfus | 554.48 | K | Joback Calculated Property |
| Vc | 1.629 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1473.71; 1583.15] | J/mol×K | [986.16; 1213.67] | 
|
| Cp,gas | 1473.71 | J/mol×K | 986.16 | Joback Calculated Property |
| Cp,gas | 1495.50 | J/mol×K | 1024.08 | Joback Calculated Property |
| Cp,gas | 1515.72 | J/mol×K | 1062.00 | Joback Calculated Property |
| Cp,gas | 1534.48 | J/mol×K | 1099.92 | Joback Calculated Property |
| Cp,gas | 1551.90 | J/mol×K | 1137.83 | Joback Calculated Property |
| Cp,gas | 1568.09 | J/mol×K | 1175.75 | Joback Calculated Property |
| Cp,gas | 1583.15 | J/mol×K | 1213.67 | Joback Calculated Property |
| η | [0.0000090; 0.0002423] | Pa×s | [554.48; 986.16] |
|
| η | 0.0002423 | Pa×s | 554.48 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 626.43 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 698.37 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 770.32 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 842.27 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 914.21 | Joback Calculated Property |
| η | 0.0000090 | Pa×s | 986.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, neopentyl octadecyl ester.
Sources
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