- InChI
- InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
- InChI Key
- MUXOBHXGJLMRAB-UHFFFAOYSA-N
- Formula
- C6H10O4
- SMILES
- COC(=O)CCC(=O)OC
- Molecular Weight1
- 146.14
- CAS
- 106-65-0
- Other Names
-
- 1,4-butanedioic acid, dimethyl ester
- CH3OC(O)CH2CH2C(O)OCH3
- DBE-4
- Dimethyl ester of succinic acid
- Methyl succinate
- dimethyl 1,4-butanedioate
- dimethyl butanedioate
- dimethyl succinate
- succinic acid, dimethyl ester
- 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).
- ΔfusH° : Enthalpy of fusion 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).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5383 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -2959.00 | kJ/mol | NIST |
| ΔfH°gas | -778.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [60.90; 62.40] | kJ/mol |
|
| ΔvapH° | 61.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 61.70 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 60.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 62.40 | kJ/mol | NIST |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.113 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 3060.00 | kPa | Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids |
| Inp | [169.29; 1035.50] |
|
|
| Inp | 1029.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1035.50 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | Outlier 169.29 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | Outlier 169.29 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1035.50 | NIST | |
| I | [1526.00; 1595.00] |
|
|
| I | 1566.00 | NIST | |
| I | 1580.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1576.00 | NIST | |
| I | 1526.00 | NIST | |
| I | 1568.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1558.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1526.00 | NIST | |
| Tboil | [468.40; 473.20] | K |
|
| Tboil | 469.80 | K | Liquid liquid equilibria of the ternary system water + acetic acid + dimethyl succinate |
| Tboil | 469.20 | K | Liquid-Liquid Equilibria for Ternary Systems of Water + Formic Acid + Dibasic Esters |
| Tboil | Outlier 473.20 | K | NIST |
| Tboil | 469.60 | K | NIST |
| Tboil | 469.40 ± 0.80 | K | NIST |
| Tboil | 469.60 ± 0.50 | K | NIST |
| Tboil | 469.60 ± 0.50 | K | NIST |
| Tboil | 469.10 ± 1.00 | K | NIST |
| Tboil | 468.50 ± 2.00 | K | NIST |
| Tboil | 468.40 ± 2.00 | K | NIST |
| Tc | 631.25 | K | Relay (1.0) Calculated Property |
| Tfus | [290.00; 293.00] | K |
|
| Tfus | 291.70 ± 2.00 | K | NIST |
| Tfus | 291.50 ± 0.60 | K | NIST |
| Tfus | 291.40 ± 1.00 | K | NIST |
| Tfus | 293.00 ± 1.50 | K | NIST |
| Tfus | 291.90 ± 0.60 | K | NIST |
| Tfus | 291.40 ± 1.50 | K | NIST |
| Tfus | Outlier 290.00 ± 1.00 | K | NIST |
| Tfus | 291.40 ± 1.00 | K | NIST |
| Tfus | 292.65 ± 0.50 | K | NIST |
| Tfus | 291.20 ± 2.00 | K | NIST |
| Tfus | 291.70 ± 2.00 | K | NIST |
| Vc | 0.424 | 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 |
|---|---|---|---|---|
| ΔvapH | 49.30 | kJ/mol | 405.00 | NIST |
| Pvap | [2.00; 8.30] | kPa | [363.39; 393.49] |
|
| Pvap | 2.00 | kPa | 363.39 | Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa |
| Pvap | 5.20 | kPa | 382.13 | Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa |
| Pvap | 8.30 | kPa | 393.49 | Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa |
| n0 | [1.41969; 1.41969] | [293.15; 293.15] |
|
|
| n0 | 1.41969 | 293.15 | Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems | |
| n0 | 1.41969 | 293.15 | (Liquid + liquid) equilibria of (water + butyric acid + dibasic esters) ternary systems | |
| n0 | 1.41969 | 293.15 | (Liquid + liquid) equilibria of (water + propionic acid + dibasic esters) ternary systems |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.44; 345.09] | 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 | 4.82520e+01 | |||
| Coefficient B | 4.64240e-01 | |||
| Coefficient C | -1.13400e-04 | |||
| Coefficient D | -5.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 249.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 273.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 293.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 311.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 325.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018108; 0.0002585] | Pa×s | [291.78; 444.30] |
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 | -1.19854e+01 | |||
| Coefficient B | 1.65484e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 291.78 | |||
| Temperature range, max. | 444.30 | |||
| η | 0.0018108 | Pa×s | 291.78 | Calculated Property |
| η | 0.0013264 | Pa×s | 308.73 | Calculated Property |
| η | 0.0010036 | Pa×s | 325.68 | Calculated Property |
| η | 0.0007806 | Pa×s | 342.62 | Calculated Property |
| η | 0.0006217 | Pa×s | 359.57 | Calculated Property |
| η | 0.0005053 | Pa×s | 376.51 | Calculated Property |
| η | 0.0004182 | Pa×s | 393.46 | Calculated Property |
| η | 0.0003515 | Pa×s | 410.41 | Calculated Property |
| η | 0.0002996 | Pa×s | 427.35 | Calculated Property |
| η | 0.0002585 | Pa×s | 444.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [348.75; 497.31] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65135e+01 | |||
| Coefficient B | -5.37480e+03 | |||
| Coefficient C | -1.75020e+01 | |||
| Temperature range, min. | 348.75 | |||
| Temperature range, max. | 497.31 | |||
| Pvap | 1.33 | kPa | 348.75 | Calculated Property |
| Pvap | 2.88 | kPa | 365.26 | Calculated Property |
| Pvap | 5.80 | kPa | 381.76 | Calculated Property |
| Pvap | 11.00 | kPa | 398.27 | Calculated Property |
| Pvap | 19.77 | kPa | 414.78 | Calculated Property |
| Pvap | 33.92 | kPa | 431.28 | Calculated Property |
| Pvap | 55.83 | kPa | 447.79 | Calculated Property |
| Pvap | 88.57 | kPa | 464.30 | Calculated Property |
| Pvap | 135.96 | kPa | 480.80 | Calculated Property |
| Pvap | 202.65 | kPa | 497.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, dimethyl ester.
Mixtures
- Pentanoic acid, 4-oxo- + Butanedioic acid, dimethyl ester + Water
- Pentanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
- Hexanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
- Acetic acid + Butanedioic acid, dimethyl ester + Water
- Butanedioic acid, dimethyl ester + Propanoic acid + Water
- Butanedioic acid, dimethyl ester + Water
- Butanoic acid + Butanedioic acid, dimethyl ester + Water
- Formic acid + Butanedioic acid, dimethyl ester + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Liquid liquid equilibria of the ternary system water + acetic acid + dimethyl succinate
- Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems
- (Liquid + liquid) equilibria of (water + butyric acid + dibasic esters) ternary systems
- (Liquid + liquid) equilibria of (water + propionic acid + dibasic esters) ternary systems
- Isobaric vapor-liquid equilibrium of three binary systems containing dimethyl succinate, dimethyl glutarate and dimethyl adipate at 2, 5.2 and 8.3 kPa
- Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
- Liquid-Liquid Equilibria for Ternary Systems of Water + Formic Acid + Dibasic Esters
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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