- InChI
- InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)23-26(29)31-24(2)27(3,4)5/h24H,6-23H2,1-5H3
- InChI Key
- YWQGXPBAPDTJPN-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CC(=O)
OC(C)C(C)(C)C - Molecular Weight1
- 440.70
- 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 | 1.1803 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1242.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.159 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 734.03 | kPa | Joback Calculated Property |
| Inp | 2874.00 | NIST | |
| Tboil | 645.17 | K | Relay (1.0) Calculated Property |
| Tc | 836.50 | K | Relay (1.0) Calculated Property |
| Tfus | 290.55 | K | Relay (1.0) Calculated Property |
| Vc | 1.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.68; 1514.88] | J/mol×K | [966.07; 1188.14] | 
|
| Cp,gas | 1409.68 | J/mol×K | 966.07 | Joback Calculated Property |
| Cp,gas | 1431.04 | J/mol×K | 1003.08 | Joback Calculated Property |
| Cp,gas | 1450.77 | J/mol×K | 1040.09 | Joback Calculated Property |
| Cp,gas | 1468.94 | J/mol×K | 1077.10 | Joback Calculated Property |
| Cp,gas | 1485.63 | J/mol×K | 1114.11 | Joback Calculated Property |
| Cp,gas | 1500.92 | J/mol×K | 1151.12 | Joback Calculated Property |
| Cp,gas | 1514.88 | J/mol×K | 1188.14 | Joback Calculated Property |
| η | [0.0000128; 0.0003661] | Pa×s | [525.79; 966.07] |
|
| η | 0.0003661 | Pa×s | 525.79 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 599.17 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 672.55 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 745.93 | Joback Calculated Property |
| η | 0.0000262 | Pa×s | 819.31 | Joback Calculated Property |
| η | 0.0000178 | Pa×s | 892.69 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 966.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl octadecyl ester.
Sources
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