- InChI
- InChI=1S/C16H30O4/c1-6-9-11-19-14(17)16(7-2,8-3)15(18)20-12-10-13(4)5/h13H,6-12H2,1-5H3
- InChI Key
- AFUCJJAEFHPNKG-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCCC(C
)C - Molecular Weight1
- 286.41
- 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 | 0.7484 | Relay (1.0) Calculated Property | |
| ΔfG° | -383.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -985.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.725 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [1631.00; 1631.00] |
|
|
| Inp | 1631.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Tboil | 557.63 | K | Relay (1.0) Calculated Property |
| Tc | 734.33 | K | Relay (1.0) Calculated Property |
| Tfus | 241.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.919 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.17; 825.37] | J/mol×K | [714.39; 898.38] |
|
| Cp,gas | 736.17 | J/mol×K | 714.39 | Joback Calculated Property |
| Cp,gas | 753.26 | J/mol×K | 745.06 | Joback Calculated Property |
| Cp,gas | 769.43 | J/mol×K | 775.72 | Joback Calculated Property |
| Cp,gas | 784.70 | J/mol×K | 806.39 | Joback Calculated Property |
| Cp,gas | 799.10 | J/mol×K | 837.05 | Joback Calculated Property |
| Cp,gas | 812.65 | J/mol×K | 867.72 | Joback Calculated Property |
| Cp,gas | 825.37 | J/mol×K | 898.38 | Joback Calculated Property |
| η | [0.0000715; 0.0015604] | Pa×s | [401.82; 714.39] |
|
| η | 0.0015604 | Pa×s | 401.82 | Joback Calculated Property |
| η | 0.0006949 | Pa×s | 453.91 | Joback Calculated Property |
| η | 0.0003656 | Pa×s | 506.01 | Joback Calculated Property |
| η | 0.0002168 | Pa×s | 558.11 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 610.20 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 662.30 | Joback Calculated Property |
| η | 0.0000715 | Pa×s | 714.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 3-methylbutyl ester.
Sources
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