- InChI
- InChI=1S/C12H20O4/c1-4-6-9-15-11(13)7-8-12(14)16-10(3)5-2/h7-8,10H,4-6,9H2,1-3H3/b8-7+
- InChI Key
- DWHTZZBOKCNKRP-BQYQJAHWSA-N
- Formula
- C12H20O4
- SMILES
- CCCCOC(=O)C=CC(=O)OC(C)CC
- Molecular Weight1
- 228.28
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6946 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.228 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Tboil | 518.08 | K | Relay (1.0) Calculated Property |
| Tc | 686.61 | K | Relay (1.0) Calculated Property |
| Tfus | 240.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.48; 571.41] | J/mol×K | [630.26; 816.90] |
|
| Cp,gas | 495.48 | J/mol×K | 630.26 | Joback Calculated Property |
| Cp,gas | 509.82 | J/mol×K | 661.37 | Joback Calculated Property |
| Cp,gas | 523.48 | J/mol×K | 692.47 | Joback Calculated Property |
| Cp,gas | 536.46 | J/mol×K | 723.58 | Joback Calculated Property |
| Cp,gas | 548.77 | J/mol×K | 754.69 | Joback Calculated Property |
| Cp,gas | 560.42 | J/mol×K | 785.80 | Joback Calculated Property |
| Cp,gas | 571.41 | J/mol×K | 816.90 | Joback Calculated Property |
| η | [0.0001213; 0.0019896] | Pa×s | [349.24; 630.26] |
|
| η | 0.0019896 | Pa×s | 349.24 | Joback Calculated Property |
| η | 0.0009475 | Pa×s | 396.08 | Joback Calculated Property |
| η | 0.0005279 | Pa×s | 442.91 | Joback Calculated Property |
| η | 0.0003289 | Pa×s | 489.75 | Joback Calculated Property |
| η | 0.0002226 | Pa×s | 536.59 | Joback Calculated Property |
| η | 0.0001604 | Pa×s | 583.42 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 630.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 2-butyl ester.
Sources
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