- InChI
- InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3
- InChI Key
- OGVXYCDTRMDYOG-UHFFFAOYSA-N
- Formula
- C13H22O4
- SMILES
- C=C(CC(=O)OCCCC)C(=O)OCCCC
- Molecular Weight1
- 242.31
- CAS
- 2155-60-4
- Other Names
-
- Butanedioic acid, methylene-, dibutyl ester
- Di(n-butyl) itaconate
- Itaconic acid, dibutyl ester
- Succinic acid, methylene-, dibutyl ester
- Butanedioic acid, 2-methylene, dibutyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -329.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Tboil | 645.98 | K | Joback Calculated Property |
| Tc | 827.19 | K | Joback Calculated Property |
| Tfus | 364.87 | K | Joback Calculated Property |
| Vc | 0.793 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.56; 623.82] | J/mol×K | [645.98; 827.19] | 
|
| Cp,gas | 545.56 | J/mol×K | 645.98 | Joback Calculated Property |
| Cp,gas | 560.30 | J/mol×K | 676.18 | Joback Calculated Property |
| Cp,gas | 574.36 | J/mol×K | 706.38 | Joback Calculated Property |
| Cp,gas | 587.74 | J/mol×K | 736.58 | Joback Calculated Property |
| Cp,gas | 600.43 | J/mol×K | 766.79 | Joback Calculated Property |
| Cp,gas | 612.46 | J/mol×K | 796.99 | Joback Calculated Property |
| Cp,gas | 623.82 | J/mol×K | 827.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibutyl itaconate.
Sources
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