- InChI
- InChI=1S/C21H40O4/c1-6-11-12-13-14-15-16-24-19(22)21(9-4,10-5)20(23)25-17-18(7-2)8-3/h18H,6-17H2,1-5H3
- InChI Key
- GKWNNAIXRMERTF-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
C(CC)CC - Molecular Weight1
- 356.54
- 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 | 0.9154 | Relay (1.0) Calculated Property | |
| ΔfG° | -341.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1084.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.676 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1030.59 | kPa | Joback Calculated Property |
| Inp | [2102.00; 2102.00] |
|
|
| Inp | 2102.00 | NIST | |
| Inp | 2102.00 | NIST | |
| Tboil | 602.37 | K | Relay (1.0) Calculated Property |
| Tc | 791.26 | K | Relay (1.0) Calculated Property |
| Tfus | 242.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.182 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.48; 1127.36] | J/mol×K | [828.79; 1018.11] |
|
| Cp,gas | 1031.48 | J/mol×K | 828.79 | Joback Calculated Property |
| Cp,gas | 1050.15 | J/mol×K | 860.34 | Joback Calculated Property |
| Cp,gas | 1067.69 | J/mol×K | 891.90 | Joback Calculated Property |
| Cp,gas | 1084.15 | J/mol×K | 923.45 | Joback Calculated Property |
| Cp,gas | 1099.56 | J/mol×K | 955.00 | Joback Calculated Property |
| Cp,gas | 1113.95 | J/mol×K | 986.55 | Joback Calculated Property |
| Cp,gas | 1127.36 | J/mol×K | 1018.11 | Joback Calculated Property |
| η | [0.0000336; 0.0008434] | Pa×s | [458.17; 828.79] |
|
| η | 0.0008434 | Pa×s | 458.17 | Joback Calculated Property |
| η | 0.0003582 | Pa×s | 519.94 | Joback Calculated Property |
| η | 0.0001825 | Pa×s | 581.71 | Joback Calculated Property |
| η | 0.0001058 | Pa×s | 643.48 | Joback Calculated Property |
| η | 0.0000675 | Pa×s | 705.25 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 767.02 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 828.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-ethylbutyl octyl ester.
Sources
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