- InChI
- InChI=1S/C17H32O4/c1-7-11-12-20-15(18)17(9-3,10-4)16(19)21-14(6)13(5)8-2/h13-14H,7-12H2,1-6H3
- InChI Key
- NTGJCKHUOGTJLL-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OC(C)C
(C)CC - Molecular Weight1
- 300.43
- 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 | 0.7350 | Relay (1.0) Calculated Property | |
| ΔfG° | -377.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1026.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.114 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1348.67 | kPa | Joback Calculated Property |
| Inp | 1683.00 | NIST | |
| Tboil | 555.23 | K | Relay (1.0) Calculated Property |
| Tc | 744.37 | K | Relay (1.0) Calculated Property |
| Tfus | 240.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.82; 885.36] | J/mol×K | [736.83; 922.80] | 
|
| Cp,gas | 793.82 | J/mol×K | 736.83 | Joback Calculated Property |
| Cp,gas | 811.45 | J/mol×K | 767.82 | Joback Calculated Property |
| Cp,gas | 828.10 | J/mol×K | 798.82 | Joback Calculated Property |
| Cp,gas | 843.79 | J/mol×K | 829.81 | Joback Calculated Property |
| Cp,gas | 858.54 | J/mol×K | 860.81 | Joback Calculated Property |
| Cp,gas | 872.39 | J/mol×K | 891.80 | Joback Calculated Property |
| Cp,gas | 885.36 | J/mol×K | 922.80 | Joback Calculated Property |
| η | [0.0000570; 0.0017460] | Pa×s | [398.09; 736.83] |
|
| η | 0.0017460 | Pa×s | 398.09 | Joback Calculated Property |
| η | 0.0006925 | Pa×s | 454.55 | Joback Calculated Property |
| η | 0.0003369 | Pa×s | 511.00 | Joback Calculated Property |
| η | 0.0001892 | Pa×s | 567.46 | Joback Calculated Property |
| η | 0.0001179 | Pa×s | 623.92 | Joback Calculated Property |
| η | 0.0000795 | Pa×s | 680.37 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 736.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, butyl 3-methylpent-2-yl ester.
Sources
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