- InChI
- InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
- InChI Key
- LDCRTTXIJACKKU-ARJAWSKDSA-N
- Formula
- C6H8O4
- SMILES
- COC(=O)C=CC(=O)OC
- Molecular Weight1
- 144.13
- CAS
- 624-48-6
- Other Names
-
- 2-BUTENEDIOIC ACID
- 2-Butendioic acid, dimethyl ester, (Z)-
- 2-Butenedioic acid (2Z)-, 1,4-dimethyl ester
- 2-Butenedioic acid (2Z)-, dimethyl ester
- 2-Butenedioic acid, dimethyl ester, (Z)-
- Dimethyl (2Z)-but-2-enedioate
- Dimethyl cis-ethylenedicarboxylate
- Dimethylester kyseliny maleinove
- Methyl maleate
- Sipomer DMM
- cis-butenedioic acid, dimethyl ester
- dimethyl cis-butenedioate
- dimethyl maleate
- maleic acid, dimethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- γ : Surface Tension (N/m).
- 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 | 0.5188 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -684.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.30; 10.47] | eV |
|
| IE | 10.30 | eV | NIST |
| IE | 10.47 | eV | NIST |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.111 | Crippen Calculated Property | |
| McVol | 105.980 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 1 | KDB | |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [978.00; 1019.20] |
|
|
| Inp | 981.00 | NIST | |
| Inp | 979.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 1019.20 | NIST | |
| Inp | 1019.20 | NIST | |
| Tboil | [475.15; 477.70] | K |
|
| Tboil | 475.15 | K | Determination and correlation of liquid liquid equilibria for the (water + carboxylic acid + dimethyl maleate) ternary systems at T = 298.2K |
| Tboil | 477.70 | K | NIST |
| Tc | 626.44 | K | Relay (1.0) Calculated Property |
| Tfus | [254.00; 314.65] | K |
|
| Tfus | 314.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 254.00 ± 1.50 | K | NIST |
| Tfus | 254.00 ± 2.00 | K | NIST |
| Tfus | 254.00 ± 2.00 | K | NIST |
| Vc | 0.391 | 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,liquid | 163.20 | J/mol×K | 298.00 | NIST |
| ΔfusH | [14.64; 14.64] | kJ/mol | [254.00; 254.00] |
|
| ΔfusH | 14.64 | kJ/mol | 254.00 | NIST |
| ΔfusH | 14.64 | kJ/mol | 254.00 | NIST |
| ΔfusH | 14.64 | kJ/mol | 254.00 | NIST |
| ΔsubH | [41.80; 44.40] | kJ/mol | [329.00; 332.00] |
|
| ΔsubH | 41.80 ± 4.20 | kJ/mol | 329.00 | NIST |
| ΔsubH | 44.40 ± 4.20 | kJ/mol | 332.00 | NIST |
| ΔvapH | [52.00; 53.90] | kJ/mol | [398.00; 403.00] |
|
| ΔvapH | 53.90 | kJ/mol | 398.00 | NIST |
| ΔvapH | 52.00 | kJ/mol | 403.00 | NIST |
| ΔfusS | [58.00; 58.00] | J/mol×K | [254.00; 254.00] |
|
| ΔfusS | 58.00 | J/mol×K | 254.00 | NIST |
| ΔfusS | 58.00 | J/mol×K | 254.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.44; 314.51] | 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 | 3.40700e+01 | |||
| Coefficient B | 4.84240e-01 | |||
| Coefficient C | -1.97200e-04 | |||
| Coefficient D | -6.60000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 206.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 251.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 269.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 284.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 297.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 307.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 314.51 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024164; 0.0002060] | Pa×s | [269.16; 453.35] |
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 | -1.20853e+01 | |||
| Coefficient B | 1.63108e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 269.16 | |||
| Temperature range, max. | 453.35 | |||
| η | 0.0024164 | Pa×s | 269.16 | Calculated Property |
| η | 0.0015747 | Pa×s | 289.63 | Calculated Property |
| η | 0.0010859 | Pa×s | 310.09 | Calculated Property |
| η | 0.0007841 | Pa×s | 330.56 | Calculated Property |
| η | 0.0005881 | Pa×s | 351.02 | Calculated Property |
| η | 0.0004553 | Pa×s | 371.49 | Calculated Property |
| η | 0.0003620 | Pa×s | 391.95 | Calculated Property |
| η | 0.0002945 | Pa×s | 412.42 | Calculated Property |
| η | 0.0002442 | Pa×s | 432.88 | Calculated Property |
| η | 0.0002060 | Pa×s | 453.35 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [354.91; 507.19] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.59525e+01 | |||
| Coefficient B | -5.05241e+03 | |||
| Coefficient C | -3.23840e+01 | |||
| Temperature range, min. | 354.91 | |||
| Temperature range, max. | 507.19 | |||
| Pvap | 1.33 | kPa | 354.91 | Calculated Property |
| Pvap | 2.91 | kPa | 371.83 | Calculated Property |
| Pvap | 5.90 | kPa | 388.75 | Calculated Property |
| Pvap | 11.22 | kPa | 405.67 | Calculated Property |
| Pvap | 20.18 | kPa | 422.59 | Calculated Property |
| Pvap | 34.56 | kPa | 439.51 | Calculated Property |
| Pvap | 56.70 | kPa | 456.43 | Calculated Property |
| Pvap | 89.56 | kPa | 473.35 | Calculated Property |
| Pvap | 136.77 | kPa | 490.27 | Calculated Property |
| Pvap | 202.66 | kPa | 507.19 | Calculated Property |
| Pvap | [2.79e-04; 3145.92] | kPa | [254.15; 675.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.23077e+02 | |||
| Coefficient B | -1.16642e+04 | |||
| Coefficient C | -1.54976e+01 | |||
| Coefficient D | 7.06613e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 254.15 | |||
| Temperature range, max. | 675.00 | |||
| Pvap | 2.79e-04 | kPa | 254.15 | Calculated Property |
| Pvap | 0.03 | kPa | 300.91 | Calculated Property |
| Pvap | 0.74 | kPa | 347.67 | Calculated Property |
| Pvap | 7.16 | kPa | 394.43 | Calculated Property |
| Pvap | 38.18 | kPa | 441.19 | Calculated Property |
| Pvap | 137.24 | kPa | 487.96 | Calculated Property |
| Pvap | 376.83 | kPa | 534.72 | Calculated Property |
| Pvap | 858.83 | kPa | 581.48 | Calculated Property |
| Pvap | 1719.26 | kPa | 628.24 | Calculated Property |
| Pvap | 3145.92 | kPa | 675.00 | Calculated Property |
| Pvap | [0.13; 101.38] | kPa | [318.90; 478.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.68527e+01 | |||
| Coefficient B | -5.53743e+03 | |||
| Coefficient C | -2.53650e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 318.90 | |||
| Temperature range, max. | 478.00 | |||
| Pvap | 0.13 | kPa | 318.90 | Calculated Property |
| Pvap | 0.39 | kPa | 336.58 | Calculated Property |
| Pvap | 1.02 | kPa | 354.26 | Calculated Property |
| Pvap | 2.40 | kPa | 371.93 | Calculated Property |
| Pvap | 5.21 | kPa | 389.61 | Calculated Property |
| Pvap | 10.53 | kPa | 407.29 | Calculated Property |
| Pvap | 19.99 | kPa | 424.97 | Calculated Property |
| Pvap | 35.96 | kPa | 442.64 | Calculated Property |
| Pvap | 61.66 | kPa | 460.32 | Calculated Property |
| Pvap | 101.38 | kPa | 478.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.04; 0.02] | N/m | [254.15; 475.15] |
Jasper (1972), surface tension of pure liquid compounds Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K | |||
| Coefficient A | 7.40543e-02 | |||
| Coefficient B | -1.22000e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 254.15 | |||
| Temperature range, max. | 475.15 | |||
| γ | 0.04 | N/m | 254.15 | Calculated Property |
| γ | 0.04 | N/m | 278.71 | Calculated Property |
| γ | 0.04 | N/m | 303.26 | Calculated Property |
| γ | 0.03 | N/m | 327.82 | Calculated Property |
| γ | 0.03 | N/m | 352.37 | Calculated Property |
| γ | 0.03 | N/m | 376.93 | Calculated Property |
| γ | 0.03 | N/m | 401.48 | Calculated Property |
| γ | 0.02 | N/m | 426.04 | Calculated Property |
| γ | 0.02 | N/m | 450.59 | Calculated Property |
| γ | 0.02 | N/m | 475.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenedioic acid (Z)-, dimethyl ester.
Mixtures
- Formic acid + 2-Butenedioic acid (Z)-, dimethyl ester + Water
- 2-Butenedioic acid (Z)-, dimethyl ester + Acetic acid + Water
- 2-Butenedioic acid (Z)-, dimethyl ester + Propanoic acid + Water
- 2-Butenedioic acid (Z)-, dimethyl ester + Butanoic acid + Water
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Determination and correlation of liquid liquid equilibria for the (water + carboxylic acid + dimethyl maleate) ternary systems at T = 298.2K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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