- InChI
- InChI=1S/C14H26O4/c1-6-7-8-17-12(15)9-13(16)18-14(10(2)3)11(4)5/h10-11,14H,6-9H2,1-5H3
- InChI Key
- JKYAHRAOWGZXLL-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCOC(=O)CC(=O)OC(C(C)C)C(C)C
- Molecular Weight1
- 258.35
- 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° | -408.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.944 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1671.43 | kPa | Joback Calculated Property |
| Inp | [1576.00; 1576.00] |
|
|
| Inp | 1576.00 | NIST | |
| Inp | 1576.00 | NIST | |
| Tboil | 670.98 | K | Joback Calculated Property |
| Tc | 854.46 | K | Joback Calculated Property |
| Tfus | 346.86 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.56; 709.94] | J/mol×K | [670.98; 854.46] |
|
| Cp,gas | 623.56 | J/mol×K | 670.98 | Joback Calculated Property |
| Cp,gas | 639.97 | J/mol×K | 701.56 | Joback Calculated Property |
| Cp,gas | 655.56 | J/mol×K | 732.14 | Joback Calculated Property |
| Cp,gas | 670.35 | J/mol×K | 762.72 | Joback Calculated Property |
| Cp,gas | 684.34 | J/mol×K | 793.30 | Joback Calculated Property |
| Cp,gas | 697.54 | J/mol×K | 823.88 | Joback Calculated Property |
| Cp,gas | 709.94 | J/mol×K | 854.46 | Joback Calculated Property |
| η | [0.0000956; 0.0030168] | Pa×s | [346.86; 670.98] |
|
| η | 0.0030168 | Pa×s | 346.86 | Joback Calculated Property |
| η | 0.0011517 | Pa×s | 400.88 | Joback Calculated Property |
| η | 0.0005527 | Pa×s | 454.90 | Joback Calculated Property |
| η | 0.0003099 | Pa×s | 508.92 | Joback Calculated Property |
| η | 0.0001942 | Pa×s | 562.94 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 616.96 | Joback Calculated Property |
| η | 0.0000956 | Pa×s | 670.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, butyl 2,4-dimethylpent-3-yl ester.
Sources
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