- InChI
- InChI=1S/C15H28O4/c1-8-12(11(4)5)19-14(17)15(6,7)13(16)18-9-10(2)3/h10-12H,8-9H2,1-7H3
- InChI Key
- QCQVUQSDIOUXNH-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CCC(OC(=O)C(C)(C)C(=O)OCC(C)C)
C(C)C - Molecular Weight1
- 272.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1016.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.190 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [1556.00; 1556.00] |
|
|
| Inp | 1556.00 | NIST | |
| Inp | 1556.00 | NIST | |
| Tboil | 528.49 | K | Relay (1.0) Calculated Property |
| Tc | 708.11 | K | Relay (1.0) Calculated Property |
| Tfus | 245.95 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.05; 770.84] | J/mol×K | [690.63; 880.65] |
|
| Cp,gas | 681.05 | J/mol×K | 690.63 | Joback Calculated Property |
| Cp,gas | 698.33 | J/mol×K | 722.30 | Joback Calculated Property |
| Cp,gas | 714.65 | J/mol×K | 753.97 | Joback Calculated Property |
| Cp,gas | 730.05 | J/mol×K | 785.64 | Joback Calculated Property |
| Cp,gas | 744.53 | J/mol×K | 817.31 | Joback Calculated Property |
| Cp,gas | 758.12 | J/mol×K | 848.98 | Joback Calculated Property |
| Cp,gas | 770.84 | J/mol×K | 880.65 | Joback Calculated Property |
| η | [0.0000708; 0.0029478] | Pa×s | [360.55; 690.63] |
|
| η | 0.0029478 | Pa×s | 360.55 | Joback Calculated Property |
| η | 0.0010492 | Pa×s | 415.56 | Joback Calculated Property |
| η | 0.0004755 | Pa×s | 470.58 | Joback Calculated Property |
| η | 0.0002543 | Pa×s | 525.59 | Joback Calculated Property |
| η | 0.0001531 | Pa×s | 580.60 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 635.62 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 690.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 2-methylpent-3-yl ester.
Sources
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