- InChI
- InChI=1S/C12H22O4/c1-4-7-10(6-3)16-12(14)9-11(13)15-8-5-2/h10H,4-9H2,1-3H3
- InChI Key
- LDTBLYPPJNBKMS-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCCOC(=O)CC(=O)OC(CC)CCC
- Molecular Weight1
- 230.30
- 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° | -420.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -785.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.452 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 1469.00 | NIST | |
| Tboil | 626.10 | K | Joback Calculated Property |
| Tc | 806.33 | K | Joback Calculated Property |
| Tfus | 354.32 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.38; 595.44] | J/mol×K | [626.10; 806.33] | 
|
| Cp,gas | 516.38 | J/mol×K | 626.10 | Joback Calculated Property |
| Cp,gas | 531.21 | J/mol×K | 656.14 | Joback Calculated Property |
| Cp,gas | 545.37 | J/mol×K | 686.18 | Joback Calculated Property |
| Cp,gas | 558.88 | J/mol×K | 716.21 | Joback Calculated Property |
| Cp,gas | 571.72 | J/mol×K | 746.25 | Joback Calculated Property |
| Cp,gas | 583.91 | J/mol×K | 776.29 | Joback Calculated Property |
| Cp,gas | 595.44 | J/mol×K | 806.33 | Joback Calculated Property |
| η | [0.0001418; 0.0021379] | Pa×s | [354.32; 626.10] |
|
| η | 0.0021379 | Pa×s | 354.32 | Joback Calculated Property |
| η | 0.0010527 | Pa×s | 399.62 | Joback Calculated Property |
| η | 0.0005987 | Pa×s | 444.91 | Joback Calculated Property |
| η | 0.0003780 | Pa×s | 490.21 | Joback Calculated Property |
| η | 0.0002579 | Pa×s | 535.51 | Joback Calculated Property |
| η | 0.0001868 | Pa×s | 580.80 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 626.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3-hexyl propyl ester.
Sources
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