- InChI
- InChI=1S/C12H20O4/c1-5-10(4)16-12(14)7-6-11(13)15-8-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+
- InChI Key
- VJAWVHUSZGPWDP-VOTSOKGWSA-N
- Formula
- C12H20O4
- SMILES
- CCC(C)OC(=O)C=CC(=O)OCC(C)C
- Molecular Weight1
- 228.28
- 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° | -342.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.083 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [1472.00; 1472.00] |
|
|
| Inp | 1472.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Tboil | 629.82 | K | Joback Calculated Property |
| Tc | 819.69 | K | Joback Calculated Property |
| Tfus | 334.24 | K | Joback Calculated Property |
| Vc | 0.724 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.92; 573.11] | J/mol×K | [629.82; 819.69] |
|
| Cp,gas | 495.92 | J/mol×K | 629.82 | Joback Calculated Property |
| Cp,gas | 510.56 | J/mol×K | 661.47 | Joback Calculated Property |
| Cp,gas | 524.47 | J/mol×K | 693.11 | Joback Calculated Property |
| Cp,gas | 537.67 | J/mol×K | 724.76 | Joback Calculated Property |
| Cp,gas | 550.18 | J/mol×K | 756.40 | Joback Calculated Property |
| Cp,gas | 561.99 | J/mol×K | 788.05 | Joback Calculated Property |
| Cp,gas | 573.11 | J/mol×K | 819.69 | Joback Calculated Property |
| η | [0.0001129; 0.0025822] | Pa×s | [334.24; 629.82] |
|
| η | 0.0025822 | Pa×s | 334.24 | Joback Calculated Property |
| η | 0.0010964 | Pa×s | 383.50 | Joback Calculated Property |
| η | 0.0005658 | Pa×s | 432.77 | Joback Calculated Property |
| η | 0.0003343 | Pa×s | 482.03 | Joback Calculated Property |
| η | 0.0002177 | Pa×s | 531.29 | Joback Calculated Property |
| η | 0.0001525 | Pa×s | 580.56 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 629.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-butyl isobutyl ester.
Sources
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