- InChI
- InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
- InChI Key
- BEPAFCGSDWSTEL-UHFFFAOYSA-N
- Formula
- C5H8O4
- SMILES
- COC(=O)CC(=O)OC
- Molecular Weight1
- 132.11
- CAS
- 108-59-8
- Other Names
-
- 1,3-propanedioic acid, dimethyl ester
- Dimethyl ester of malonic acid
- Dimethyl malonate
- Dimethyl propanedioate
- Malonic acid, dimethyl ester
- Methyl malonate
- dimethyl 1,3-propanedioate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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 | 0.4956 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-2311.20; -2311.20] | kJ/mol |
|
| ΔcH°liquid | -2311.20 ± 0.63 | kJ/mol | NIST |
| ΔcH°liquid | -2311.20 ± 0.63 | kJ/mol | NIST |
| ΔcH°solid | -2318.00 | kJ/mol | NIST |
| ΔfG° | -476.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-737.80; -737.80] | kJ/mol |
|
| ΔfH°gas | -737.80 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -737.80 ± 1.00 | kJ/mol | NIST |
| ΔfH°liquid | [-799.69; -799.69] | kJ/mol |
|
| ΔfH°liquid | -799.69 ± 0.63 | kJ/mol | NIST |
| ΔfH°liquid | -799.69 ± 0.63 | kJ/mol | NIST |
| ΔfusH° | 14.28 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 111.70 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | [57.50; 61.90] | kJ/mol |
|
| ΔvapH° | 57.50 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 61.84 ± 0.79 | kJ/mol | NIST |
| ΔvapH° | 61.84 ± 0.79 | kJ/mol | NIST |
| ΔvapH° | 61.90 | kJ/mol | NIST |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.277 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| Pc | 3530.00 | kPa | Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids |
| Inp | [882.00; 921.00] |
|
|
| Inp | 910.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 884.00 | NIST | |
| Inp | 882.00 | NIST | |
| Inp | 891.00 | NIST | |
| Inp | 908.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 914.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 897.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 896.00 | NIST | |
| Inp | 888.00 | NIST | |
| Inp | 902.00 | NIST | |
| Inp | 895.00 | NIST | |
| Inp | 897.00 | NIST | |
| Inp | 910.00 | NIST | |
| Inp | 887.00 | NIST | |
| Inp | 914.00 | NIST | |
| I | [1472.00; 1523.00] |
|
|
| I | 1482.00 | NIST | |
| I | 1484.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1499.00 | NIST | |
| I | 1500.00 | NIST | |
| I | 1472.00 | NIST | |
| I | Outlier 1523.00 | NIST | |
| I | 1489.00 | NIST | |
| I | 1482.00 | NIST | |
| Tboil | [454.60; 454.60] | K |
|
| Tboil | 454.60 | K | NIST |
| Tboil | 454.60 ± 0.80 | K | NIST |
| Tboil | 454.60 ± 0.50 | K | NIST |
| Tc | 615.28 | K | Relay (1.0) Calculated Property |
| Tfus | 211.30 ± 1.00 | K | NIST |
| Vc | 0.362 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.70; 240.99] | J/mol×K | [466.38; 656.26] |
|
| Cp,gas | 196.70 | J/mol×K | 466.38 | Joback Calculated Property |
| Cp,gas | 204.67 | J/mol×K | 498.03 | Joback Calculated Property |
| Cp,gas | 212.42 | J/mol×K | 529.67 | Joback Calculated Property |
| Cp,gas | 219.95 | J/mol×K | 561.32 | Joback Calculated Property |
| Cp,gas | 227.23 | J/mol×K | 592.97 | Joback Calculated Property |
| Cp,gas | 234.25 | J/mol×K | 624.62 | Joback Calculated Property |
| Cp,gas | 240.99 | J/mol×K | 656.26 | Joback Calculated Property |
| Cp,liquid | 210.10 | J/mol×K | 298.15 | NIST |
| η | [0.0002822; 0.0020268] | Pa×s | [290.43; 466.38] |
|
| η | 0.0020268 | Pa×s | 290.43 | Joback Calculated Property |
| η | 0.0012551 | Pa×s | 319.75 | Joback Calculated Property |
| η | 0.0008423 | Pa×s | 349.08 | Joback Calculated Property |
| η | 0.0006014 | Pa×s | 378.40 | Joback Calculated Property |
| η | 0.0004507 | Pa×s | 407.73 | Joback Calculated Property |
| η | 0.0003511 | Pa×s | 437.06 | Joback Calculated Property |
| η | 0.0002822 | Pa×s | 466.38 | Joback Calculated Property |
| ΔvapH | [46.10; 61.80] | kJ/mol | [293.00; 497.00] |
|
| ΔvapH | 61.80 ± 0.80 | kJ/mol | 293.00 | NIST |
| ΔvapH | 53.70 | kJ/mol | 381.00 | NIST |
| ΔvapH | 52.90 ± 0.20 | kJ/mol | 405.50 | NIST |
| ΔvapH | 49.50 ± 0.20 | kJ/mol | 405.50 | NIST |
| ΔvapH | 46.10 ± 0.30 | kJ/mol | 405.50 | NIST |
| ΔvapH | 50.00 | kJ/mol | 497.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [345.14; 479.68] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.69518e+01 | |||
| Coefficient B | -5.19477e+03 | |||
| Coefficient C | -3.34050e+01 | |||
| Temperature range, min. | 345.14 | |||
| Temperature range, max. | 479.68 | |||
| Pvap | 1.33 | kPa | 345.14 | Calculated Property |
| Pvap | 2.86 | kPa | 360.09 | Calculated Property |
| Pvap | 5.73 | kPa | 375.04 | Calculated Property |
| Pvap | 10.84 | kPa | 389.99 | Calculated Property |
| Pvap | 19.49 | kPa | 404.94 | Calculated Property |
| Pvap | 33.46 | kPa | 419.88 | Calculated Property |
| Pvap | 55.20 | kPa | 434.83 | Calculated Property |
| Pvap | 87.85 | kPa | 449.78 | Calculated Property |
| Pvap | 135.37 | kPa | 464.73 | Calculated Property |
| Pvap | 202.65 | kPa | 479.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, dimethyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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