- InChI
- InChI=1S/C14H24O4/c1-5-17-12(15)14(3,4)13(16)18-11-8-6-10(2)7-9-11/h10-11H,5-9H2,1-4H3/t10-,11+
- InChI Key
- HRVOFSXIGCWMSS-PHIMTYICSA-N
- Formula
- C14H24O4
- SMILES
-
CCOC(=O)C(C)(C)C(=O)O[C@H]1CC[
C@@H](C)CC1 - Molecular Weight1
- 256.34
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -942.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.31 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 212.140 | ml/mol | McGowan Calculated Property |
| Inp | [1657.00; 1657.00] |
|
|
| Inp | 1657.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Tboil | 546.69 | K | Relay (1.0) Calculated Property |
| Tfus | 261.89 | 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 | [297.84; 751.02] | 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 | -4.31590e+01 | |||
| Coefficient B | 1.44568e+00 | |||
| Coefficient C | -7.46000e-04 | |||
| Coefficient D | 9.45000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 379.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 451.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 516.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 573.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 622.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 665.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 700.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 728.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 751.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038141; 0.0001479] | Pa×s | [337.76; 597.44] |
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 | -1.30455e+01 | |||
| Coefficient B | 2.52524e+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. | 337.76 | |||
| Temperature range, max. | 597.44 | |||
| η | 0.0038141 | Pa×s | 337.76 | Calculated Property |
| η | 0.0021176 | Pa×s | 366.61 | Calculated Property |
| η | 0.0012811 | Pa×s | 395.47 | Calculated Property |
| η | 0.0008299 | Pa×s | 424.32 | Calculated Property |
| η | 0.0005681 | Pa×s | 453.17 | Calculated Property |
| η | 0.0004070 | Pa×s | 482.03 | Calculated Property |
| η | 0.0003028 | Pa×s | 510.88 | Calculated Property |
| η | 0.0002325 | Pa×s | 539.73 | Calculated Property |
| η | 0.0001833 | Pa×s | 568.58 | Calculated Property |
| η | 0.0001479 | Pa×s | 597.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl ethyl 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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