- InChI
- InChI=1S/C18H34O4/c1-8-11-21-15(19)18(9-2,10-3)16(20)22-13-14(4)12-17(5,6)7/h14H,8-13H2,1-7H3
- InChI Key
- IGIBEXZUGFBEPS-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OCC(C)C
C(C)(C)C - Molecular Weight1
- 314.46
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1055.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.92 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.362 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | [1746.00; 1746.00] |
|
|
| Inp | 1746.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Tboil | 574.52 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [416.77; 967.66] | 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 | -1.32840e+01 | |||
| Coefficient B | 1.86184e+00 | |||
| Coefficient C | -1.11300e-03 | |||
| Coefficient D | 2.32100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 416.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 604.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 682.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 750.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 809.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 859.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 902.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 937.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 967.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029966; 0.0000678] | Pa×s | [367.12; 634.06] |
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 | -1.48091e+01 | |||
| Coefficient B | 3.30366e+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. | 367.12 | |||
| Temperature range, max. | 634.06 | |||
| η | 0.0029966 | Pa×s | 367.12 | Calculated Property |
| η | 0.0015293 | Pa×s | 396.78 | Calculated Property |
| η | 0.0008570 | Pa×s | 426.44 | Calculated Property |
| η | 0.0005178 | Pa×s | 456.10 | Calculated Property |
| η | 0.0003327 | Pa×s | 485.76 | Calculated Property |
| η | 0.0002250 | Pa×s | 515.42 | Calculated Property |
| η | 0.0001587 | Pa×s | 545.08 | Calculated Property |
| η | 0.0001161 | Pa×s | 574.74 | Calculated Property |
| η | 0.0000876 | Pa×s | 604.40 | Calculated Property |
| η | 0.0000678 | Pa×s | 634.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, propyl 2,4,4-trimethylpentyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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