- InChI
- InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
- InChI Key
- LOMVENUNSWAXEN-UHFFFAOYSA-N
- Formula
- C4H6O4
- SMILES
- COC(=O)C(=O)OC
- Molecular Weight1
- 118.09
- CAS
- 553-90-2
- Other Names
-
- CH3OCOCOOCH3
- DIMETHYL ESTER OXALIC ACID
- Dimethyl ester of oxalic acid
- Ethanedioc acid dimethyl ester
- Methyl oxalate
- Oxalic acid, dimethyl ester
- dimethyl ethanedioate
- dimethyl oxalate
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- 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 | 0.5560 | KDB | |
| ΔcH°solid | [-1677.00; -1675.20] | kJ/mol |
|
| ΔcH°solid | -1675.20 ± 0.63 | kJ/mol | NIST |
| ΔcH°solid | -1677.00 | kJ/mol | NIST |
| ΔfH°gas | [-709.70; -709.27] | kJ/mol |
|
| ΔfH°gas | -709.27 ± 0.54 | kJ/mol | NIST |
| ΔfH°gas | -709.70 | kJ/mol | NIST |
| ΔfH°solid | [-756.73; -756.30] | kJ/mol |
|
| ΔfH°solid | -756.30 ± 0.84 | kJ/mol | NIST |
| ΔfH°solid | -756.73 ± 0.31 | kJ/mol | NIST |
| ΔfusH° | 14.85 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [47.00; 75.30] | kJ/mol |
|
| ΔsubH° | 75.20 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 74.60 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 75.30 ± 1.60 | kJ/mol | NIST |
| ΔsubH° | 47.00 | kJ/mol | NIST |
| ΔsubH° | 47.00 | kJ/mol | NIST |
| ΔvapH° | [52.50; 54.70] | kJ/mol |
|
| ΔvapH° | 54.70 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 52.50 | kJ/mol | NIST |
| IE | [10.00; 10.30] | eV |
|
| IE | 10.00 | eV | NIST |
| IE | 10.30 | eV | NIST |
| log10WS | -0.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.668 | Crippen Calculated Property | |
| McVol | 82.100 | ml/mol | McGowan Calculated Property |
| Pc | [3980.00; 9610.00] | kPa |
|
| Pc | 4060.00 | kPa | Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids |
| Pc | 3980.00 | kPa | KDB |
| Pc | 3980.00 ± 405.30 | kPa | NIST |
| Pc | 9610.00 ± 2026.50 | kPa | NIST |
| Inp | [800.00; 837.00] |
|
|
| Inp | 824.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 837.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 824.00 | NIST | |
| I | [1382.00; 1409.00] |
|
|
| I | 1382.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1382.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1409.00 | NIST | |
| I | 1395.00 | NIST | |
| I | 1382.00 | NIST | |
| Tboil | [436.50; 437.70] | K |
|
| Tboil | 436.65 | K | Determination of Ternary Vapor-Liquid Equilibrium of Dimethyl Oxalate-Methanol-1,2-Butanediol under Atmosphere Pressure |
| Tboil | 436.50 | K | KDB |
| Tboil | 437.70 | K | NIST |
| Tboil | 437.40 ± 0.50 | K | NIST |
| Tboil | 437.40 ± 0.50 | K | NIST |
| Tc | [533.00; 628.00] | K |
|
| Tc | 628.00 | K | KDB |
| Tc | 628.00 ± 8.00 | K | NIST |
| Tc | 533.00 ± 40.00 | K | NIST |
| Tc | 533.00 ± 40.00 | K | NIST |
| Tfus | [322.65; 327.95] | K |
|
| Tfus | 327.00 | K | KDB |
| Tfus | 327.95 ± 0.25 | K | NIST |
| Tfus | 322.65 ± 0.60 | K | NIST |
| Tfus | 327.95 ± 0.25 | K | NIST |
| Vc | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.81; 194.65] | J/mol×K | [407.56; 591.89] |
|
| Cp,gas | 155.81 | J/mol×K | 407.56 | Joback Calculated Property |
| Cp,gas | 162.83 | J/mol×K | 438.28 | Joback Calculated Property |
| Cp,gas | 169.65 | J/mol×K | 469.00 | Joback Calculated Property |
| Cp,gas | 176.26 | J/mol×K | 499.73 | Joback Calculated Property |
| Cp,gas | 182.63 | J/mol×K | 530.45 | Joback Calculated Property |
| Cp,gas | 188.77 | J/mol×K | 561.17 | Joback Calculated Property |
| Cp,gas | 194.65 | J/mol×K | 591.89 | Joback Calculated Property |
| η | [0.0002740; 0.0059797] | Pa×s | [219.50; 407.56] |
|
| η | 0.0059797 | Pa×s | 219.50 | Joback Calculated Property |
| η | 0.0025949 | Pa×s | 250.84 | Joback Calculated Property |
| η | 0.0013555 | Pa×s | 282.19 | Joback Calculated Property |
| η | 0.0008062 | Pa×s | 313.53 | Joback Calculated Property |
| η | 0.0005270 | Pa×s | 344.87 | Joback Calculated Property |
| η | 0.0003698 | Pa×s | 376.22 | Joback Calculated Property |
| η | 0.0002740 | Pa×s | 407.56 | Joback Calculated Property |
| ΔfusH | [21.07; 21.07] | kJ/mol | [327.60; 327.60] |
|
| ΔfusH | 21.07 | kJ/mol | 327.60 | NIST |
| ΔfusH | 21.07 | kJ/mol | 327.60 | NIST |
| ΔsubH | [47.40; 75.60] | kJ/mol | [283.00; 289.21] |
|
| ΔsubH | 75.60 ± 1.60 | kJ/mol | 283.00 | NIST |
| ΔsubH | 47.40 ± 0.46 | kJ/mol | 289.21 | NIST |
| ΔsubH | 47.40 ± 0.46 | kJ/mol | 289.21 | NIST |
| ΔvapH | [44.70; 48.80] | kJ/mol | [365.00; 416.00] |
|
| ΔvapH | 48.80 | kJ/mol | 365.00 | NIST |
| ΔvapH | 44.70 | kJ/mol | 416.00 | NIST |
| Pvap | 101.33 | kPa | 436.65 | Determination of Ternary Vapor-Liquid Equilibrium of Dimethyl Oxalate-Methanol-1,2-Butanediol under Atmosphere Pressure |
| ρl | 1150.00 | kg/m3 | 288.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.00; 202.65] | kPa | [323.65; 462.53] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.71121e+01 | |||
| Coefficient B | -5.28130e+03 | |||
| Coefficient C | -1.49840e+01 | |||
| Temperature range, min. | 323.65 | |||
| Temperature range, max. | 462.53 | |||
| Pvap | 1.00 | kPa | 323.65 | Calculated Property |
| Pvap | 2.26 | kPa | 339.08 | Calculated Property |
| Pvap | 4.75 | kPa | 354.51 | Calculated Property |
| Pvap | 9.33 | kPa | 369.94 | Calculated Property |
| Pvap | 17.35 | kPa | 385.37 | Calculated Property |
| Pvap | 30.68 | kPa | 400.81 | Calculated Property |
| Pvap | 51.94 | kPa | 416.24 | Calculated Property |
| Pvap | 84.56 | kPa | 431.67 | Calculated Property |
| Pvap | 132.96 | kPa | 447.10 | Calculated Property |
| Pvap | 202.65 | kPa | 462.53 | Calculated Property |
| Pvap | [0.15; 99.94] | kPa | [293.15; 436.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.59206e+01 | |||
| Coefficient B | -6.60112e+03 | |||
| Coefficient C | -2.71833e+00 | |||
| Coefficient D | 1.79251e-06 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 436.15 | |||
| Pvap | 0.15 | kPa | 293.15 | Calculated Property |
| Pvap | 0.43 | kPa | 309.04 | Calculated Property |
| Pvap | 1.08 | kPa | 324.93 | Calculated Property |
| Pvap | 2.48 | kPa | 340.82 | Calculated Property |
| Pvap | 5.30 | kPa | 356.71 | Calculated Property |
| Pvap | 10.58 | kPa | 372.59 | Calculated Property |
| Pvap | 19.92 | kPa | 388.48 | Calculated Property |
| Pvap | 35.62 | kPa | 404.37 | Calculated Property |
| Pvap | 60.88 | kPa | 420.26 | Calculated Property |
| Pvap | 99.94 | kPa | 436.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanedioic acid, dimethyl ester.
Mixtures
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Determination of Ternary Vapor-Liquid Equilibrium of Dimethyl Oxalate-Methanol-1,2-Butanediol under Atmosphere Pressure
- Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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