- InChI
- InChI=1S/C14H20O4/c1-5-11(4)18-14(16)9-8-13(15)17-10-12(6-2)7-3/h1,8-9,11-12H,6-7,10H2,2-4H3/b9-8+
- InChI Key
- DNKIKGCRSROOPG-CMDGGOBGSA-N
- Formula
- C14H20O4
- SMILES
- C#CC(C)OC(=O)C=CC(=O)OCC(CC)CC
- Molecular Weight1
- 252.31
- ω : Acentric Factor.
- 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).
- 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 | 0.6101 | Relay (... Calculated Property | |
| ΔfG° | -102.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.93 | kJ/mol | Relay (... Calculated Property |
| IE | 10.15 | eV | Relay (... Calculated Property |
| log10WS | -3.76 | Relay (... Calculated Property | |
| logPoct/wat | 2.087 | Crippen Calculated Property | |
| McVol | 210.100 | ml/mol | McGowan Calculated Property |
| Pc | 1968.30 | kPa | Joback Calculated Property |
| Inp | [1656.00; 1656.00] |
|
|
| Inp | 1656.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Tboil | 539.21 | K | Relay (... Calculated Property |
| Tc | 710.68 | K | Relay (... Calculated Property |
| Tfus | 273.88 | K | Relay (... Calculated Property |
| Vc | 0.711 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.42; 630.86] | J/mol×K | [665.70; 861.80] |
|
| Cp,gas | 554.42 | J/mol×K | 665.70 | Joback Calculated Property |
| Cp,gas | 569.07 | J/mol×K | 698.38 | Joback Calculated Property |
| Cp,gas | 582.94 | J/mol×K | 731.07 | Joback Calculated Property |
| Cp,gas | 596.03 | J/mol×K | 763.75 | Joback Calculated Property |
| Cp,gas | 608.37 | J/mol×K | 796.43 | Joback Calculated Property |
| Cp,gas | 619.97 | J/mol×K | 829.12 | Joback Calculated Property |
| Cp,gas | 630.86 | J/mol×K | 861.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-ethylbutyl but-3-yn-2-yl ester.
Sources
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