- InChI
- InChI=1S/C14H16O4/c1-3-11-6-5-7-12(10-11)18-14(16)9-8-13(15)17-4-2/h5-10H,3-4H2,1-2H3/b9-8+
- InChI Key
- LJDWECIZEWZRHP-CMDGGOBGSA-N
- Formula
- C14H16O4
- SMILES
-
CCOC(=O)/C=C/C(=O)Oc1cccc(CC)c
1 - Molecular Weight1
- 248.28
- 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 | 0.7092 | Relay (1.0) Calculated Property | |
| ΔfG° | -370.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.274 | Crippen Calculated Property | |
| McVol | 194.940 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | 1872.00 | NIST | |
| Tboil | 578.23 | K | Relay (1.0) Calculated Property |
| Tc | 780.75 | K | Relay (1.0) Calculated Property |
| Tfus | 287.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.700 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.07; 579.56] | J/mol×K | [672.18; 881.58] | 
|
| Cp,gas | 508.07 | J/mol×K | 672.18 | Joback Calculated Property |
| Cp,gas | 522.39 | J/mol×K | 707.08 | Joback Calculated Property |
| Cp,gas | 535.71 | J/mol×K | 741.98 | Joback Calculated Property |
| Cp,gas | 548.07 | J/mol×K | 776.88 | Joback Calculated Property |
| Cp,gas | 559.48 | J/mol×K | 811.78 | Joback Calculated Property |
| Cp,gas | 569.97 | J/mol×K | 846.68 | Joback Calculated Property |
| Cp,gas | 579.56 | J/mol×K | 881.58 | Joback Calculated Property |
| η | [0.0000825; 0.0015670] | Pa×s | [366.06; 672.18] |
|
| η | 0.0015670 | Pa×s | 366.06 | Joback Calculated Property |
| η | 0.0007106 | Pa×s | 417.08 | Joback Calculated Property |
| η | 0.0003829 | Pa×s | 468.10 | Joback Calculated Property |
| η | 0.0002329 | Pa×s | 519.12 | Joback Calculated Property |
| η | 0.0001549 | Pa×s | 570.14 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 621.16 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 672.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, ethyl 3-ethylphenyl ester.
Sources
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