- InChI
- InChI=1S/C14H26O4/c1-6-7-8-9-17-12(15)10-13(16)18-11(2)14(3,4)5/h11H,6-10H2,1-5H3
- InChI Key
- DQDAOMVZUXXMDW-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCOC(=O)CC(=O)OC(C)C(C)(C)C
- Molecular Weight1
- 258.35
- 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 | 0.7110 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -988.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Inp | [1584.00; 1584.00] |
|
|
| Inp | 1584.00 | NIST | |
| Inp | 1584.00 | NIST | |
| Tboil | 534.38 | K | Relay (1.0) Calculated Property |
| Tc | 716.99 | K | Relay (1.0) Calculated Property |
| Tfus | 232.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.821 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.23; 710.90] | J/mol×K | [668.63; 854.31] |
|
| Cp,gas | 625.23 | J/mol×K | 668.63 | Joback Calculated Property |
| Cp,gas | 641.58 | J/mol×K | 699.58 | Joback Calculated Property |
| Cp,gas | 657.08 | J/mol×K | 730.52 | Joback Calculated Property |
| Cp,gas | 671.74 | J/mol×K | 761.47 | Joback Calculated Property |
| Cp,gas | 685.59 | J/mol×K | 792.42 | Joback Calculated Property |
| Cp,gas | 698.63 | J/mol×K | 823.36 | Joback Calculated Property |
| Cp,gas | 710.90 | J/mol×K | 854.31 | Joback Calculated Property |
| η | [0.0000950; 0.0019390] | Pa×s | [379.28; 668.63] |
|
| η | 0.0019390 | Pa×s | 379.28 | Joback Calculated Property |
| η | 0.0008833 | Pa×s | 427.50 | Joback Calculated Property |
| η | 0.0004719 | Pa×s | 475.73 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 523.96 | Joback Calculated Property |
| η | 0.0001849 | Pa×s | 572.18 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 620.40 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 668.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl pentyl ester.
Sources
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