- InChI
- InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
- InChI Key
- JBSLOWBPDRZSMB-BQYQJAHWSA-N
- Formula
- C12H20O4
- SMILES
- CCCCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 228.28
- CAS
- 105-75-9
- Other Names
-
- Fumaric acid, dibutyl ester
- Butyl fumarate
- Dibutyl fumarate
- RC Comonomer DBF
- Staflex DBF
- Dibutylester kyseliny fumarove
- Dibutyl ester of fumaric acid
- Di-n-butyl fumarate
- Bisomer DBF
- 2-Butenedioic acid (2E)-, 1,4-dibutyl ester
- 2-Butenedioic acid (2E)-, dibutyl ester
- NSC 140
- Dibutyl (2e)-2-butenedioate
- 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).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -337.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.42 | Crippen Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 2018.13 | kPa | Joback Calculated Property |
| Inp | [1556.00; 1558.00] |
|
|
| Inp | 1556.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Tboil | 630.70 | K | Joback Calculated Property |
| Tc | 814.25 | K | Joback Calculated Property |
| Tfus | [254.95; 255.25] | K |
|
| Tfus | 254.95 ± 0.30 | K | NIST |
| Tfus | 255.25 ± 0.20 | K | NIST |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.03; 569.75] | J/mol×K | [630.70; 814.25] |
|
| Cp,gas | 495.03 | J/mol×K | 630.70 | Joback Calculated Property |
| Cp,gas | 509.10 | J/mol×K | 661.29 | Joback Calculated Property |
| Cp,gas | 522.51 | J/mol×K | 691.88 | Joback Calculated Property |
| Cp,gas | 535.27 | J/mol×K | 722.48 | Joback Calculated Property |
| Cp,gas | 547.40 | J/mol×K | 753.07 | Joback Calculated Property |
| Cp,gas | 558.89 | J/mol×K | 783.66 | Joback Calculated Property |
| Cp,gas | 569.75 | J/mol×K | 814.25 | Joback Calculated Property |
| η | [0.0001303; 0.0015837] | Pa×s | [364.24; 630.70] |
|
| η | 0.0015837 | Pa×s | 364.24 | Joback Calculated Property |
| η | 0.0008330 | Pa×s | 408.65 | Joback Calculated Property |
| η | 0.0004970 | Pa×s | 453.06 | Joback Calculated Property |
| η | 0.0003252 | Pa×s | 497.47 | Joback Calculated Property |
| η | 0.0002281 | Pa×s | 541.88 | Joback Calculated Property |
| η | 0.0001688 | Pa×s | 586.29 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 630.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenedioic acid (E)-, dibutyl ester.
Sources
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