- InChI
- InChI=1S/C15H28O4/c1-11(2)7-6-8-18-14(16)10-15(17)19-13(5)9-12(3)4/h11-13H,6-10H2,1-5H3
- InChI Key
- XTUUJWALOHOZOX-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CC(C)CCCOC(=O)CC(=O)OC(C)CC(C)
C - Molecular Weight1
- 272.38
- 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° | -399.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1547.57 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1647.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Tboil | 693.86 | K | Joback Calculated Property |
| Tc | 876.51 | K | Joback Calculated Property |
| Tfus | 358.13 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.70; 766.97] | J/mol×K | [693.86; 876.51] |
|
| Cp,gas | 678.70 | J/mol×K | 693.86 | Joback Calculated Property |
| Cp,gas | 695.52 | J/mol×K | 724.30 | Joback Calculated Property |
| Cp,gas | 711.49 | J/mol×K | 754.74 | Joback Calculated Property |
| Cp,gas | 726.61 | J/mol×K | 785.18 | Joback Calculated Property |
| Cp,gas | 740.89 | J/mol×K | 815.62 | Joback Calculated Property |
| Cp,gas | 754.34 | J/mol×K | 846.06 | Joback Calculated Property |
| Cp,gas | 766.97 | J/mol×K | 876.51 | Joback Calculated Property |
| η | [0.0000837; 0.0027078] | Pa×s | [358.13; 693.86] |
|
| η | 0.0027078 | Pa×s | 358.13 | Joback Calculated Property |
| η | 0.0010257 | Pa×s | 414.08 | Joback Calculated Property |
| η | 0.0004895 | Pa×s | 470.04 | Joback Calculated Property |
| η | 0.0002735 | Pa×s | 526.00 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 581.95 | Joback Calculated Property |
| η | 0.0001159 | Pa×s | 637.90 | Joback Calculated Property |
| η | 0.0000837 | Pa×s | 693.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, isohexyl 4-methylpent-2-yl ester.
Sources
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