- InChI
- InChI=1S/C13H24O4/c1-6-7-8-16-11(14)9-12(15)17-10(2)13(3,4)5/h10H,6-9H2,1-5H3
- InChI Key
- XSAYKAGGMXLSRU-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCCOC(=O)CC(=O)OC(C)C(C)(C)C
- Molecular Weight1
- 244.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -408.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Inp | [1495.00; 1495.00] |
|
|
| Inp | 1495.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Tboil | 645.75 | K | Joback Calculated Property |
| Tc | 832.89 | K | Joback Calculated Property |
| Tfus | 368.01 | K | Joback Calculated Property |
| Vc | 0.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.62; 655.14] | J/mol×K | [645.75; 832.89] |
|
| Cp,gas | 571.62 | J/mol×K | 645.75 | Joback Calculated Property |
| Cp,gas | 587.54 | J/mol×K | 676.94 | Joback Calculated Property |
| Cp,gas | 602.64 | J/mol×K | 708.13 | Joback Calculated Property |
| Cp,gas | 616.93 | J/mol×K | 739.32 | Joback Calculated Property |
| Cp,gas | 630.43 | J/mol×K | 770.51 | Joback Calculated Property |
| Cp,gas | 643.16 | J/mol×K | 801.70 | Joback Calculated Property |
| Cp,gas | 655.14 | J/mol×K | 832.89 | Joback Calculated Property |
| η | [0.0001090; 0.0021445] | Pa×s | [368.01; 645.75] |
|
| η | 0.0021445 | Pa×s | 368.01 | Joback Calculated Property |
| η | 0.0009889 | Pa×s | 414.30 | Joback Calculated Property |
| η | 0.0005328 | Pa×s | 460.59 | Joback Calculated Property |
| η | 0.0003214 | Pa×s | 506.88 | Joback Calculated Property |
| η | 0.0002110 | Pa×s | 553.17 | Joback Calculated Property |
| η | 0.0001478 | Pa×s | 599.46 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 645.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, butyl 3,3-dimethylbut-2-yl ester.
Sources
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