- InChI
- InChI=1S/C13H24O4/c1-4-6-8-11(3)17-13(15)10-12(14)16-9-7-5-2/h11H,4-10H2,1-3H3
- InChI Key
- CTPXXBSQUIGYBR-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCCOC(=O)CC(=O)OC(C)CCCC
- Molecular Weight1
- 244.33
- 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 | 0.7483 | Relay (1.0) Calculated Property | |
| ΔfG° | -411.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -965.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.842 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | [1555.00; 1555.00] |
|
|
| Inp | 1555.00 | NIST | |
| Inp | 1555.00 | NIST | |
| Tboil | 527.75 | K | Relay (1.0) Calculated Property |
| Tc | 709.92 | K | Relay (1.0) Calculated Property |
| Tfus | 194.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.82; 650.59] | J/mol×K | [648.98; 828.08] |
|
| Cp,gas | 568.82 | J/mol×K | 648.98 | Joback Calculated Property |
| Cp,gas | 584.20 | J/mol×K | 678.83 | Joback Calculated Property |
| Cp,gas | 598.88 | J/mol×K | 708.68 | Joback Calculated Property |
| Cp,gas | 612.86 | J/mol×K | 738.53 | Joback Calculated Property |
| Cp,gas | 626.13 | J/mol×K | 768.38 | Joback Calculated Property |
| Cp,gas | 638.71 | J/mol×K | 798.23 | Joback Calculated Property |
| Cp,gas | 650.59 | J/mol×K | 828.08 | Joback Calculated Property |
| η | [0.0001258; 0.0019834] | Pa×s | [365.59; 648.98] |
|
| η | 0.0019834 | Pa×s | 365.59 | Joback Calculated Property |
| η | 0.0009630 | Pa×s | 412.82 | Joback Calculated Property |
| η | 0.0005423 | Pa×s | 460.05 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 507.29 | Joback Calculated Property |
| η | 0.0002306 | Pa×s | 554.52 | Joback Calculated Property |
| η | 0.0001663 | Pa×s | 601.75 | Joback Calculated Property |
| η | 0.0001258 | Pa×s | 648.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, butyl 2-hexyl ester.
Sources
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