- InChI
- InChI=1S/C20H30O4/c1-4-7-15-23-18(21)20(5-2,6-3)19(22)24-16-11-14-17-12-9-8-10-13-17/h8-10,12-13H,4-7,11,14-16H2,1-3H3
- InChI Key
- OAKOKQQZGQUUBE-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCCCc1
ccccc1 - Molecular Weight1
- 334.45
- 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 | 0.8383 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.312 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Pc | 1375.82 | kPa | Joback Calculated Property |
| Inp | 2212.00 | NIST | |
| Tboil | 629.73 | K | Relay (1.0) Calculated Property |
| Tc | 829.49 | K | Relay (1.0) Calculated Property |
| Tfus | 279.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.024 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.40; 961.35] | J/mol×K | [833.03; 1037.37] | 
|
| Cp,gas | 879.40 | J/mol×K | 833.03 | Joback Calculated Property |
| Cp,gas | 895.78 | J/mol×K | 867.09 | Joback Calculated Property |
| Cp,gas | 911.01 | J/mol×K | 901.14 | Joback Calculated Property |
| Cp,gas | 925.14 | J/mol×K | 935.20 | Joback Calculated Property |
| Cp,gas | 938.20 | J/mol×K | 969.25 | Joback Calculated Property |
| Cp,gas | 950.26 | J/mol×K | 1003.31 | Joback Calculated Property |
| Cp,gas | 961.35 | J/mol×K | 1037.37 | Joback Calculated Property |
| η | [0.0000430; 0.0006491] | Pa×s | [488.32; 833.03] |
|
| η | 0.0006491 | Pa×s | 488.32 | Joback Calculated Property |
| η | 0.0003253 | Pa×s | 545.77 | Joback Calculated Property |
| η | 0.0001860 | Pa×s | 603.22 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 660.67 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 718.13 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 775.58 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 833.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 3-phenylpropyl ester.
Sources
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