- InChI
- InChI=1S/C16H30O4/c1-6-11-13(12-7-2)20-15(18)16(8-3,9-4)14(17)19-10-5/h13H,6-12H2,1-5H3
- InChI Key
- CBJJESCUQCWXAA-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CCCC(CCC)OC(=O)C(CC)(CC)C(=O)O
CC - Molecular Weight1
- 286.41
- 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).
- 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 | -981.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.18 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.868 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Inp | [1586.00; 1586.00] |
|
|
| Inp | 1586.00 | NIST | |
| Inp | 1586.00 | NIST | |
| Tboil | 548.17 | K | Relay (1.0) Calculated Property |
| Tfus | 232.65 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [375.80; 863.01] | 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 | 1.30070e+01 | |||
| Coefficient B | 1.54600e+00 | |||
| Coefficient C | -8.32400e-04 | |||
| Coefficient D | 1.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 375.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 461.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 538.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 607.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 667.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 720.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 765.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 804.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 836.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 863.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038156; 0.0001029] | Pa×s | [342.16; 600.34] |
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 | -1.39706e+01 | |||
| Coefficient B | 2.87480e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 342.16 | |||
| Temperature range, max. | 600.34 | |||
| η | 0.0038156 | Pa×s | 342.16 | Calculated Property |
| η | 0.0019921 | Pa×s | 370.85 | Calculated Property |
| η | 0.0011418 | Pa×s | 399.53 | Calculated Property |
| η | 0.0007051 | Pa×s | 428.22 | Calculated Property |
| η | 0.0004626 | Pa×s | 456.91 | Calculated Property |
| η | 0.0003190 | Pa×s | 485.59 | Calculated Property |
| η | 0.0002293 | Pa×s | 514.28 | Calculated Property |
| η | 0.0001706 | Pa×s | 542.97 | Calculated Property |
| η | 0.0001308 | Pa×s | 571.65 | Calculated Property |
| η | 0.0001029 | Pa×s | 600.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl hept-4-yl 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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