- InChI
- InChI=1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3
- InChI Key
- UELKSYXXNGHTSE-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CCOC(=O)C(C)(C)C(=O)OCC
- Molecular Weight1
- 188.22
- CAS
- 1619-62-1
- Other Names
-
- Diethyl dimethylmalonate
- Malonic acid, dimethyl-, diethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5262 | Relay (1.0) Calculated Property | |
| ΔfG° | -593.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.139 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Tboil | [465.20; 470.20] | K |
|
| Tboil | 465.20 | K | NIST |
| Tboil | 470.20 | K | NIST |
| Tc | 652.85 | K | Relay (1.0) Calculated Property |
| Tfus | [242.75; 242.75] | K |
|
| Tfus | 242.75 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 242.75 ± 0.50 | K | NIST |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.62; 501.33] | 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 | 2.10520e+01 | |||
| Coefficient B | 8.75080e-01 | |||
| Coefficient C | -4.48400e-04 | |||
| Coefficient D | 5.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 227.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 276.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 321.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 360.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 394.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 449.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 471.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 488.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 501.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0204095; 0.0002133] | Pa×s | [242.75; 493.79] |
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 | -1.28634e+01 | |||
| Coefficient B | 2.17786e+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. | 242.75 | |||
| Temperature range, max. | 493.79 | |||
| η | 0.0204095 | Pa×s | 242.75 | Calculated Property |
| η | 0.0080959 | Pa×s | 270.64 | Calculated Property |
| η | 0.0038171 | Pa×s | 298.54 | Calculated Property |
| η | 0.0020465 | Pa×s | 326.43 | Calculated Property |
| η | 0.0012103 | Pa×s | 354.32 | Calculated Property |
| η | 0.0007729 | Pa×s | 382.22 | Calculated Property |
| η | 0.0005246 | Pa×s | 410.11 | Calculated Property |
| η | 0.0003740 | Pa×s | 438.00 | Calculated Property |
| η | 0.0002777 | Pa×s | 465.90 | Calculated Property |
| η | 0.0002133 | Pa×s | 493.79 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, dimethyl-, diethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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