- 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° | 25.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.33 | 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 | 1473.62 | 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 | 713.69 | K | Relay (1.0) Calculated Property |
| Tfus | 240.61 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.96; 812.49] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.05520e+01 | |||
| Coefficient B | 1.46284e+00 | |||
| Coefficient C | -7.84400e-04 | |||
| Coefficient D | 1.23500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 353.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 435.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 508.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 629.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 679.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 722.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 758.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 788.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 812.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0100819; 0.0000977] | Pa×s | [300.89; 588.14] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.40898e+01 | |||
| Coefficient B | 2.85628e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 300.89 | |||
| Temperature range, max. | 588.14 | |||
| η | 0.0100819 | Pa×s | 300.89 | Calculated Property |
| η | 0.0040567 | Pa×s | 332.81 | Calculated Property |
| η | 0.0019143 | Pa×s | 364.72 | Calculated Property |
| η | 0.0010194 | Pa×s | 396.64 | Calculated Property |
| η | 0.0005962 | Pa×s | 428.56 | Calculated Property |
| η | 0.0003757 | Pa×s | 460.47 | Calculated Property |
| η | 0.0002513 | Pa×s | 492.39 | Calculated Property |
| η | 0.0001765 | Pa×s | 524.31 | Calculated Property |
| η | 0.0001291 | Pa×s | 556.22 | Calculated Property |
| η | 0.0000977 | Pa×s | 588.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 2-methylpent-3-yl ester.
Sources
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