- InChI
- InChI=1S/C9H16O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h7H,4-6H2,1-3H3
- InChI Key
- XHLXMRJWRKQMCP-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CCOC(=O)CC(C)C(=O)OCC
- Molecular Weight1
- 188.22
- Other Names
-
- Butanedioic acid, methyl-, diethyl ester
- Diethyl methylbutanedioate
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5799 | Relay (1.0) Calculated Property | |
| ΔfG° | -598.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -873.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.139 | Crippen Calculated Property | |
| McVol | 152.550 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | [1205.00; 1205.00] |
|
|
| Inp | 1205.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Tboil | 466.32 | K | Relay (1.0) Calculated Property |
| Tc | 661.12 | K | Relay (1.0) Calculated Property |
| Tfus | 237.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [228.77; 500.40] | 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 | 4.38430e+01 | |||
| Coefficient B | 7.55160e-01 | |||
| Coefficient C | -2.79800e-04 | |||
| Coefficient D | -1.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 228.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 275.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 356.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 390.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 420.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 447.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 469.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 486.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 500.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075106; 0.0002158] | Pa×s | [260.85; 491.06] |
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 | -1.24634e+01 | |||
| Coefficient B | 1.97514e+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. | 260.85 | |||
| Temperature range, max. | 491.06 | |||
| η | 0.0075106 | Pa×s | 260.85 | Calculated Property |
| η | 0.0038195 | Pa×s | 286.43 | Calculated Property |
| η | 0.0021702 | Pa×s | 312.01 | Calculated Property |
| η | 0.0013433 | Pa×s | 337.59 | Calculated Property |
| η | 0.0008896 | Pa×s | 363.17 | Calculated Property |
| η | 0.0006220 | Pa×s | 388.74 | Calculated Property |
| η | 0.0004545 | Pa×s | 414.32 | Calculated Property |
| η | 0.0003445 | Pa×s | 439.90 | Calculated Property |
| η | 0.0002692 | Pa×s | 465.48 | Calculated Property |
| η | 0.0002158 | Pa×s | 491.06 | Calculated Property |
Similar Compounds
Find more compounds similar to DIETHYL METHYLSUCCINATE.
Sources
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