- InChI
- InChI=1S/C14H24O4/c1-5-7-10-17-13(15)8-9-14(16)18-12(6-2)11(3)4/h8-9,11-12H,5-7,10H2,1-4H3/b9-8+
- InChI Key
- NWQVIURKKKITDZ-CMDGGOBGSA-N
- Formula
- C14H24O4
- SMILES
- CCCCOC(=O)C=CC(=O)OC(CC)C(C)C
- Molecular Weight1
- 256.34
- 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 | 0.7276 | Relay (... Calculated Property | |
| ΔfG° | -325.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -876.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.05 | kJ/mol | Relay (... Calculated Property |
| IE | 9.90 | eV | Relay (... Calculated Property |
| log10WS | -3.86 | Relay (... Calculated Property | |
| logPoct/wat | 2.864 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1733.22 | kPa | Joback Calculated Property |
| Inp | 1671.00 | NIST | |
| Tboil | 547.44 | K | Relay (... Calculated Property |
| Tc | 708.03 | K | Relay (... Calculated Property |
| Tfus | 239.38 | K | Relay (... Calculated Property |
| Vc | 0.784 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.07; 683.37] | J/mol×K | [675.58; 862.18] | 
|
| Cp,gas | 601.07 | J/mol×K | 675.58 | Joback Calculated Property |
| Cp,gas | 616.74 | J/mol×K | 706.68 | Joback Calculated Property |
| Cp,gas | 631.60 | J/mol×K | 737.78 | Joback Calculated Property |
| Cp,gas | 645.68 | J/mol×K | 768.88 | Joback Calculated Property |
| Cp,gas | 658.99 | J/mol×K | 799.98 | Joback Calculated Property |
| Cp,gas | 671.55 | J/mol×K | 831.08 | Joback Calculated Property |
| Cp,gas | 683.37 | J/mol×K | 862.18 | Joback Calculated Property |
| η | [0.0000886; 0.0021664] | Pa×s | [356.78; 675.58] |
|
| η | 0.0021664 | Pa×s | 356.78 | Joback Calculated Property |
| η | 0.0009003 | Pa×s | 409.91 | Joback Calculated Property |
| η | 0.0004576 | Pa×s | 463.05 | Joback Calculated Property |
| η | 0.0002674 | Pa×s | 516.18 | Joback Calculated Property |
| η | 0.0001727 | Pa×s | 569.31 | Joback Calculated Property |
| η | 0.0001202 | Pa×s | 622.45 | Joback Calculated Property |
| η | 0.0000886 | Pa×s | 675.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 2-methylpent-3-yl ester.
Sources
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