- InChI
- InChI=1S/C16H20O4/c1-3-5-11-19-15(17)9-10-16(18)20-14-8-6-7-13(4-2)12-14/h6-10,12H,3-5,11H2,1-2H3/b10-9+
- InChI Key
- GTZFJRUPSXQDPO-MDZDMXLPSA-N
- Formula
- C16H20O4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1cccc(CC)c
1 - Molecular Weight1
- 276.33
- 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 | 0.8040 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -663.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.054 | Crippen Calculated Property | |
| McVol | 223.120 | ml/mol | McGowan Calculated Property |
| Pc | 1900.26 | kPa | Joback Calculated Property |
| Inp | [2084.00; 2084.00] |
|
|
| Inp | 2084.00 | NIST | |
| Inp | 2084.00 | NIST | |
| Tboil | 592.49 | K | Relay (1.0) Calculated Property |
| Tc | 795.71 | K | Relay (1.0) Calculated Property |
| Tfus | 267.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.804 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.96; 697.61] | J/mol×K | [753.88; 961.93] |
|
| Cp,gas | 623.96 | J/mol×K | 753.88 | Joback Calculated Property |
| Cp,gas | 638.55 | J/mol×K | 788.55 | Joback Calculated Property |
| Cp,gas | 652.19 | J/mol×K | 823.23 | Joback Calculated Property |
| Cp,gas | 664.89 | J/mol×K | 857.90 | Joback Calculated Property |
| Cp,gas | 676.67 | J/mol×K | 892.58 | Joback Calculated Property |
| Cp,gas | 687.57 | J/mol×K | 927.25 | Joback Calculated Property |
| Cp,gas | 697.61 | J/mol×K | 961.93 | Joback Calculated Property |
| η | [0.0000809; 0.0007844] | Pa×s | [448.26; 753.88] |
|
| η | 0.0007844 | Pa×s | 448.26 | Joback Calculated Property |
| η | 0.0004428 | Pa×s | 499.20 | Joback Calculated Property |
| η | 0.0002779 | Pa×s | 550.13 | Joback Calculated Property |
| η | 0.0001887 | Pa×s | 601.07 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 652.01 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 702.94 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 753.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 3-ethylphenyl ester.
Sources
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