- 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
- CAS
- 1472-85-1
- 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° | -394.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.37 | 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 | 1528.27 | kPa | Joback Calculated Property |
| Inp | 1703.00 | NIST | |
| Tboil | 559.88 | K | Relay (1.0) Calculated Property |
| Tc | 732.91 | K | Relay (1.0) Calculated Property |
| Tfus | 240.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.76; 764.02] | J/mol×K | [694.74; 872.74] | 
|
| Cp,gas | 677.76 | J/mol×K | 694.74 | Joback Calculated Property |
| Cp,gas | 694.10 | J/mol×K | 724.41 | Joback Calculated Property |
| Cp,gas | 709.65 | J/mol×K | 754.07 | Joback Calculated Property |
| Cp,gas | 724.41 | J/mol×K | 783.74 | Joback Calculated Property |
| Cp,gas | 738.39 | J/mol×K | 813.41 | Joback Calculated Property |
| Cp,gas | 751.59 | J/mol×K | 843.08 | Joback Calculated Property |
| Cp,gas | 764.02 | J/mol×K | 872.74 | Joback Calculated Property |
| η | [0.0000977; 0.0016719] | Pa×s | [388.13; 694.74] |
|
| η | 0.0016719 | Pa×s | 388.13 | Joback Calculated Property |
| η | 0.0007909 | Pa×s | 439.23 | Joback Calculated Property |
| η | 0.0004373 | Pa×s | 490.33 | Joback Calculated Property |
| η | 0.0002704 | Pa×s | 541.43 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 592.54 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 643.64 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 694.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl octylmalonate.
Sources
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