- InChI
- InChI=1S/C22H42O4/c1-7-10-11-12-13-14-17-25-20(23)22(8-2,9-3)21(24)26-19(6)16-15-18(4)5/h18-19H,7-17H2,1-6H3
- InChI Key
- IBAQSTMIACDGCT-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
(C)CCC(C)C - Molecular Weight1
- 370.57
- 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 | 0.9247 | Relay (1.0) Calculated Property | |
| ΔfG° | -335.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1126.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.064 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 974.73 | kPa | Joback Calculated Property |
| Inp | 2175.00 | NIST | |
| Tboil | 599.33 | K | Relay (1.0) Calculated Property |
| Tc | 787.35 | K | Relay (1.0) Calculated Property |
| Tfus | 262.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.240 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.48; 1190.72] | J/mol×K | [851.23; 1044.28] | 
|
| Cp,gas | 1093.48 | J/mol×K | 851.23 | Joback Calculated Property |
| Cp,gas | 1112.55 | J/mol×K | 883.41 | Joback Calculated Property |
| Cp,gas | 1130.42 | J/mol×K | 915.58 | Joback Calculated Property |
| Cp,gas | 1147.14 | J/mol×K | 947.76 | Joback Calculated Property |
| Cp,gas | 1162.73 | J/mol×K | 979.93 | Joback Calculated Property |
| Cp,gas | 1177.25 | J/mol×K | 1012.11 | Joback Calculated Property |
| Cp,gas | 1190.72 | J/mol×K | 1044.28 | Joback Calculated Property |
| η | [0.0000263; 0.0008913] | Pa×s | [454.44; 851.23] |
|
| η | 0.0008913 | Pa×s | 454.44 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 520.57 | Joback Calculated Property |
| η | 0.0001622 | Pa×s | 586.70 | Joback Calculated Property |
| η | 0.0000896 | Pa×s | 652.84 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 718.97 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 785.10 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 851.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 5-methylhex-2-yl octyl ester.
Sources
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