- 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 OXALATE
- Dimethyl ester of oxalic acid
- Ethanedioc acid dimethyl ester
- METHYL OXALATE
- Oxalic acid, dimethyl ester
- dimethyl ethanedioate
- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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 |
| ΔfG° | -485.04 | kJ/mol | Joback Calculated Property |
| 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° | 11.69 | 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 |
| 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 | 3980.00 | kPa | KDB |
| 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 ± 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 | 436.50 | K | KDB |
| Tboil | 436.65 | K | Determination of Ternary Vapor-Liquid Equilibrium of Dimethyl Oxalate-Methanol-1,2-Butanediol under Atmosphere Pressure |
| 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 |
| Vc | 0.312 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.25; 196.03] | J/mol×K | [443.50; 635.40] |
|
| Cp,gas | 159.25 | J/mol×K | 443.50 | Joback Calculated Property |
| Cp,gas | 165.77 | J/mol×K | 475.48 | Joback Calculated Property |
| Cp,gas | 172.16 | J/mol×K | 507.47 | Joback Calculated Property |
| Cp,gas | 178.40 | J/mol×K | 539.45 | Joback Calculated Property |
| Cp,gas | 184.47 | J/mol×K | 571.43 | Joback Calculated Property |
| Cp,gas | 190.35 | J/mol×K | 603.41 | Joback Calculated Property |
| Cp,gas | 196.03 | J/mol×K | 635.40 | Joback Calculated Property |
| η | [0.0002944; 0.0019482] | Pa×s | [279.16; 443.50] |
|
| η | 0.0019482 | Pa×s | 279.16 | Joback Calculated Property |
| η | 0.0012352 | Pa×s | 306.55 | Joback Calculated Property |
| η | 0.0008440 | Pa×s | 333.94 | Joback Calculated Property |
| η | 0.0006109 | Pa×s | 361.33 | Joback Calculated Property |
| η | 0.0004628 | Pa×s | 388.72 | Joback Calculated Property |
| η | 0.0003637 | Pa×s | 416.11 | Joback Calculated Property |
| η | 0.0002944 | Pa×s | 443.50 | 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 |
| 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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