- InChI
- InChI=1S/C15H28O4/c1-4-7-8-9-10-11-12-13(14(16)18-5-2)15(17)19-6-3/h13H,4-12H2,1-3H3
- InChI Key
- YZYBVYGISZANLI-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- CCCCCCCCC(C(=O)OCC)C(=O)OCC
- Molecular Weight1
- 272.38
- Other Names
-
- Malonic acid, octyl-, diethyl ester
- Propanedioic acid, octyl-, diethyl ester
- 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 | 0.7779 | Relay (1.0) Calculated Property | |
| ΔfG° | -547.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.479 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1434.80 | kPa | Joback Calculated Property |
| Inp | [1703.00; 1703.00] |
|
|
| Inp | 1703.00 | NIST | |
| Inp | 1703.00 | NIST | |
| Tboil | 559.88 | K | Relay (1.0) Calculated Property |
| Tc | 736.32 | K | Relay (1.0) Calculated Property |
| Tfus | 239.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.895 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.34; 751.51] | J/mol×K | [658.80; 831.82] |
|
| Cp,gas | 663.34 | J/mol×K | 658.80 | Joback Calculated Property |
| Cp,gas | 680.08 | J/mol×K | 687.64 | Joback Calculated Property |
| Cp,gas | 695.99 | J/mol×K | 716.47 | Joback Calculated Property |
| Cp,gas | 711.08 | J/mol×K | 745.31 | Joback Calculated Property |
| Cp,gas | 725.36 | J/mol×K | 774.15 | Joback Calculated Property |
| Cp,gas | 738.84 | J/mol×K | 802.98 | Joback Calculated Property |
| Cp,gas | 751.51 | J/mol×K | 831.82 | Joback Calculated Property |
| η | [0.0000801; 0.0038694] | Pa×s | [328.47; 658.80] |
|
| η | 0.0038694 | Pa×s | 328.47 | Joback Calculated Property |
| η | 0.0012751 | Pa×s | 383.52 | Joback Calculated Property |
| η | 0.0005552 | Pa×s | 438.58 | Joback Calculated Property |
| η | 0.0002910 | Pa×s | 493.63 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 548.69 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 603.74 | Joback Calculated Property |
| η | 0.0000801 | Pa×s | 658.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-OCTYLMALONIC ACID, DIETHYL ESTER.
Sources
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