- InChI
- InChI=1S/C27H52O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-24(28)27(5,6)25(29)31-23-26(2,3)4/h7-23H2,1-6H3
- InChI Key
- ILVDDEOEDNKTGJ-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OCC(C)(C)C - Molecular Weight1
- 440.70
- 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° | -285.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1107.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.42 | kJ/mol | Joback Calculated Property |
| log10WS | -8.37 | Crippen Calculated Property | |
| logPoct/wat | 8.017 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 738.42 | kPa | Joback Calculated Property |
| Inp | 2725.00 | NIST | |
| Tboil | 963.28 | K | Joback Calculated Property |
| Tc | 1182.44 | K | Joback Calculated Property |
| Tfus | 543.21 | K | Joback Calculated Property |
| Vc | 1.573 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1408.99; 1515.79] | J/mol×K | [963.28; 1182.44] | 
|
| Cp,gas | 1408.99 | J/mol×K | 963.28 | Joback Calculated Property |
| Cp,gas | 1430.15 | J/mol×K | 999.81 | Joback Calculated Property |
| Cp,gas | 1449.83 | J/mol×K | 1036.33 | Joback Calculated Property |
| Cp,gas | 1468.14 | J/mol×K | 1072.86 | Joback Calculated Property |
| Cp,gas | 1485.18 | J/mol×K | 1109.39 | Joback Calculated Property |
| Cp,gas | 1501.02 | J/mol×K | 1145.91 | Joback Calculated Property |
| Cp,gas | 1515.79 | J/mol×K | 1182.44 | Joback Calculated Property |
| η | [0.0000107; 0.0002815] | Pa×s | [543.21; 963.28] |
|
| η | 0.0002815 | Pa×s | 543.21 | Joback Calculated Property |
| η | 0.0001197 | Pa×s | 613.22 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 683.23 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 753.25 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 823.26 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 893.27 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 963.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl neopentyl ester.
Sources
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