- InChI
- InChI=1S/C22H34O6/c1-6-9-10-11-12-16-27-20(23)22(7-2,8-3)21(24)28-19-17(25-4)14-13-15-18(19)26-5/h13-15H,6-12,16H2,1-5H3
- InChI Key
- LYJUSXCPDRLVDD-UHFFFAOYSA-N
- Formula
- C22H34O6
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1
c(OC)cccc1OC - Molecular Weight1
- 394.50
- 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° | -447.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1046.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.929 | Crippen Calculated Property | |
| McVol | 323.700 | ml/mol | McGowan Calculated Property |
| Pc | 1147.54 | kPa | Joback Calculated Property |
| Inp | [2578.00; 2578.00] |
|
|
| Inp | 2578.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Tboil | 933.59 | K | Joback Calculated Property |
| Tc | 1145.62 | K | Joback Calculated Property |
| Tfus | 580.36 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1055.78; 1125.73] | J/mol×K | [933.59; 1145.62] |
|
| Cp,gas | 1055.78 | J/mol×K | 933.59 | Joback Calculated Property |
| Cp,gas | 1071.03 | J/mol×K | 968.93 | Joback Calculated Property |
| Cp,gas | 1084.82 | J/mol×K | 1004.27 | Joback Calculated Property |
| Cp,gas | 1097.17 | J/mol×K | 1039.60 | Joback Calculated Property |
| Cp,gas | 1108.09 | J/mol×K | 1074.94 | Joback Calculated Property |
| Cp,gas | 1117.61 | J/mol×K | 1110.28 | Joback Calculated Property |
| Cp,gas | 1125.73 | J/mol×K | 1145.62 | Joback Calculated Property |
| η | [0.0000179; 0.0001789] | Pa×s | [580.36; 933.59] |
|
| η | 0.0001789 | Pa×s | 580.36 | Joback Calculated Property |
| η | 0.0001021 | Pa×s | 639.23 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 698.10 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 756.97 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 815.85 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 874.72 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 933.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl heptyl ester.
Sources
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