- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [266.44; 605.67] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.19200e+00 | |||
| Coefficient B | 1.10584e+00 | |||
| Coefficient C | -5.96560e-04 | |||
| Coefficient D | 8.92000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 266.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 382.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 430.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 473.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 510.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 567.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 588.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 605.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015670; 0.0001129] | Pa×s | [366.06; 617.11] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.29235e+01 | |||
| Coefficient B | 2.36652e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 366.06 | |||
| Temperature range, max. | 617.11 | |||
| η | 0.0015670 | Pa×s | 366.06 | Calculated Property |
| η | 0.0009914 | Pa×s | 393.95 | Calculated Property |
| η | 0.0006664 | Pa×s | 421.85 | Calculated Property |
| η | 0.0004706 | Pa×s | 449.74 | Calculated Property |
| η | 0.0003461 | Pa×s | 477.64 | Calculated Property |
| η | 0.0002633 | Pa×s | 505.53 | Calculated Property |
| η | 0.0002061 | Pa×s | 533.42 | Calculated Property |
| η | 0.0001653 | Pa×s | 561.32 | Calculated Property |
| η | 0.0001354 | Pa×s | 589.21 | Calculated Property |
| η | 0.0001129 | Pa×s | 617.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, ethyl 3-ethylphenyl ester.
Sources
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