- 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 butanedioate
- Dimethyl ester of succinic acid
- Dimethyl succinate
- Methyl succinate
- Succinic acid, dimethyl ester
- dimethyl 1,4-butanedioate
- 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).
- 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 |
| ΔfG° | -468.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.87 | 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 | Outlier 169.29 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1035.50 | NIST | |
| Inp | 1004.00 | 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 | 627.81 | 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 | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.42; 287.43] | J/mol×K | [489.26; 677.07] |
|
| Cp,gas | 236.42 | J/mol×K | 489.26 | Joback Calculated Property |
| Cp,gas | 245.69 | J/mol×K | 520.56 | Joback Calculated Property |
| Cp,gas | 254.67 | J/mol×K | 551.86 | Joback Calculated Property |
| Cp,gas | 263.35 | J/mol×K | 583.16 | Joback Calculated Property |
| Cp,gas | 271.71 | J/mol×K | 614.46 | Joback Calculated Property |
| Cp,gas | 279.74 | J/mol×K | 645.76 | Joback Calculated Property |
| Cp,gas | 287.43 | J/mol×K | 677.07 | Joback Calculated Property |
| η | [0.0002663; 0.0020653] | Pa×s | [301.70; 489.26] |
|
| η | 0.0020653 | Pa×s | 301.70 | Joback Calculated Property |
| η | 0.0012506 | Pa×s | 332.96 | Joback Calculated Property |
| η | 0.0008254 | Pa×s | 364.22 | Joback Calculated Property |
| η | 0.0005818 | Pa×s | 395.48 | Joback Calculated Property |
| η | 0.0004316 | Pa×s | 426.74 | Joback Calculated Property |
| η | 0.0003335 | Pa×s | 458.00 | Joback Calculated Property |
| η | 0.0002663 | Pa×s | 489.26 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [348.75; 497.31] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Acetic acid + Butanedioic acid, dimethyl ester + Water
- Pentanoic acid, 4-oxo- + Butanedioic acid, dimethyl ester + Water
- Butanedioic acid, dimethyl ester + Water
- Butanoic acid + Butanedioic acid, dimethyl ester + Water
- Butanedioic acid, dimethyl ester + Propanoic acid + Water
- Pentanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
- Hexanedioic acid, dimethyl ester + Butanedioic acid, dimethyl ester
- 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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