- InChI
- InChI=1S/C12H18O5/c1-4-5-8-16-11(14)6-7-12(15)17-10(3)9(2)13/h6-7,10H,4-5,8H2,1-3H3/b7-6+
- InChI Key
- NINYMJGCDLFJIG-VOTSOKGWSA-N
- Formula
- C12H18O5
- SMILES
- CCCCOC(=O)C=CC(=O)OC(C)C(C)=O
- Molecular Weight1
- 242.27
- 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 | 0.7082 | Relay (1.0) Calculated Property | |
| ΔfG° | -468.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.407 | Crippen Calculated Property | |
| McVol | 192.090 | ml/mol | McGowan Calculated Property |
| Pc | 2153.30 | kPa | Joback Calculated Property |
| Inp | 1659.00 | NIST | |
| Tboil | 532.60 | K | Relay (1.0) Calculated Property |
| Tc | 709.13 | K | Relay (1.0) Calculated Property |
| Tfus | 309.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.95; 582.19] | J/mol×K | [684.13; 877.89] | 
|
| Cp,gas | 513.95 | J/mol×K | 684.13 | Joback Calculated Property |
| Cp,gas | 527.11 | J/mol×K | 716.42 | Joback Calculated Property |
| Cp,gas | 539.54 | J/mol×K | 748.72 | Joback Calculated Property |
| Cp,gas | 551.26 | J/mol×K | 781.01 | Joback Calculated Property |
| Cp,gas | 562.27 | J/mol×K | 813.31 | Joback Calculated Property |
| Cp,gas | 572.57 | J/mol×K | 845.60 | Joback Calculated Property |
| Cp,gas | 582.19 | J/mol×K | 877.89 | Joback Calculated Property |
| η | [0.0001207; 0.0015348] | Pa×s | [399.17; 684.13] |
|
| η | 0.0015348 | Pa×s | 399.17 | Joback Calculated Property |
| η | 0.0008019 | Pa×s | 446.66 | Joback Calculated Property |
| η | 0.0004746 | Pa×s | 494.16 | Joback Calculated Property |
| η | 0.0003080 | Pa×s | 541.65 | Joback Calculated Property |
| η | 0.0002143 | Pa×s | 589.14 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 636.64 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 684.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 3-oxobut-2-yl ester.
Sources
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