- InChI
- InChI=1S/C33H56O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-36-31(34)33(6-2,7-3)32(35)37-28-30-25-23-24-29(4)27-30/h23-25,27H,5-22,26,28H2,1-4H3
- InChI Key
- VMGZEHKIGZLICW-UHFFFAOYSA-N
- Formula
- C33H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OCc1cccc(C)c1 - Molecular Weight1
- 516.80
- 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 | 1.3207 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1076.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.649 | Crippen Calculated Property | |
| McVol | 466.950 | ml/mol | McGowan Calculated Property |
| Pc | 638.01 | kPa | Joback Calculated Property |
| Inp | 3524.00 | NIST | |
| Tboil | 710.08 | K | Relay (1.0) Calculated Property |
| Tc | 921.82 | K | Relay (1.0) Calculated Property |
| Tfus | 301.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1690.22; 1786.07] | J/mol×K | [1135.45; 1419.29] | 
|
| Cp,gas | 1690.22 | J/mol×K | 1135.45 | Joback Calculated Property |
| Cp,gas | 1710.99 | J/mol×K | 1182.76 | Joback Calculated Property |
| Cp,gas | 1729.57 | J/mol×K | 1230.06 | Joback Calculated Property |
| Cp,gas | 1746.15 | J/mol×K | 1277.37 | Joback Calculated Property |
| Cp,gas | 1760.96 | J/mol×K | 1324.68 | Joback Calculated Property |
| Cp,gas | 1774.20 | J/mol×K | 1371.99 | Joback Calculated Property |
| Cp,gas | 1786.07 | J/mol×K | 1419.29 | Joback Calculated Property |
| η | [0.0000055; 0.0001012] | Pa×s | [647.35; 1135.45] |
|
| η | 0.0001012 | Pa×s | 647.35 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 728.70 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 810.05 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 891.40 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 972.75 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 1054.10 | Joback Calculated Property |
| η | 0.0000055 | Pa×s | 1135.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-methylbenzyl octadecyl ester.
Sources
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