- InChI
- InChI=1S/C19H28O4/c1-4-14-22-17(20)19(5-2,6-3)18(21)23-15-10-13-16-11-8-7-9-12-16/h7-9,11-12H,4-6,10,13-15H2,1-3H3
- InChI Key
- XLKCAQRRXUZDIB-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OCCCc1c
cccc1 - Molecular Weight1
- 320.42
- 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 | 0.7984 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.922 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | [2126.00; 2126.00] |
|
|
| Inp | 2126.00 | NIST | |
| Inp | 2126.00 | NIST | |
| Tboil | 624.47 | K | Relay (1.0) Calculated Property |
| Tc | 820.00 | K | Relay (1.0) Calculated Property |
| Tfus | 284.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.971 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.04; 902.23] | J/mol×K | [810.15; 1014.93] |
|
| Cp,gas | 821.04 | J/mol×K | 810.15 | Joback Calculated Property |
| Cp,gas | 837.26 | J/mol×K | 844.28 | Joback Calculated Property |
| Cp,gas | 852.34 | J/mol×K | 878.41 | Joback Calculated Property |
| Cp,gas | 866.33 | J/mol×K | 912.54 | Joback Calculated Property |
| Cp,gas | 879.29 | J/mol×K | 946.67 | Joback Calculated Property |
| Cp,gas | 891.24 | J/mol×K | 980.80 | Joback Calculated Property |
| Cp,gas | 902.23 | J/mol×K | 1014.93 | Joback Calculated Property |
| η | [0.0000498; 0.0007273] | Pa×s | [477.05; 810.15] |
|
| η | 0.0007273 | Pa×s | 477.05 | Joback Calculated Property |
| η | 0.0003686 | Pa×s | 532.57 | Joback Calculated Property |
| η | 0.0002124 | Pa×s | 588.08 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 643.60 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 699.12 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 754.63 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 810.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-phenylpropyl propyl ester.
Sources
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