- InChI
- InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
- InChI Key
- VHIYCPCXACHVJM-KQQUZDAGSA-N
- Formula
- C10H14O4
- SMILES
- CCOC(=O)C=CC=CC(=O)OCC
- Molecular Weight1
- 198.22
- CAS
- 1441-57-2
- Other Names
-
- Diethyl 2,4-hexadienedioate
- 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 | 0.5847 | Relay (1.0) Calculated Property | |
| ΔfG° | -426.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.225 | Crippen Calculated Property | |
| McVol | 158.040 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | [1380.00; 1380.00] |
|
|
| Inp | 1380.00 | NIST | |
| Inp | 1380.00 | NIST | |
| Tboil | 515.79 | K | Relay (1.0) Calculated Property |
| Tc | 672.53 | K | Relay (1.0) Calculated Property |
| Tfus | 344.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.29; 490.29] | 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 | 1.62520e+01 | |||
| Coefficient B | 8.84240e-01 | |||
| Coefficient C | -4.98600e-04 | |||
| Coefficient D | 8.84000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 384.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 438.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 459.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 490.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041473; 0.0001458] | Pa×s | [276.96; 520.02] |
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 | -1.26486e+01 | |||
| Coefficient B | 1.98396e+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. | 276.96 | |||
| Temperature range, max. | 520.02 | |||
| η | 0.0041473 | Pa×s | 276.96 | Calculated Property |
| η | 0.0021946 | Pa×s | 303.97 | Calculated Property |
| η | 0.0012884 | Pa×s | 330.97 | Calculated Property |
| η | 0.0008197 | Pa×s | 357.98 | Calculated Property |
| η | 0.0005557 | Pa×s | 384.99 | Calculated Property |
| η | 0.0003964 | Pa×s | 411.99 | Calculated Property |
| η | 0.0002948 | Pa×s | 439.00 | Calculated Property |
| η | 0.0002268 | Pa×s | 466.01 | Calculated Property |
| η | 0.0001797 | Pa×s | 493.02 | Calculated Property |
| η | 0.0001458 | Pa×s | 520.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexadienedioic acid, diethyl ester.
Sources
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