- InChI
- InChI=1S/C16H24O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3/b7-5+,8-6+,12-11+
- InChI Key
- QGNBTOILRVTESN-UXJRKJCUSA-N
- Formula
- C16H24O4
- SMILES
-
CC/C=C/CCOC(=O)/C=C/C(=O)OCC/C
=C/CC - Molecular Weight1
- 280.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -720.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.27 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 238.280 | ml/mol | McGowan Calculated Property |
| Pc | 1493.04 | kPa | Joback Calculated Property |
| Inp | [1985.00; 1985.00] |
|
|
| Inp | 1985.00 | NIST | |
| Inp | 1985.00 | NIST | |
| Tboil | 577.59 | K | Relay (1.0) Calculated Property |
| Tc | 747.11 | K | Relay (1.0) Calculated Property |
| Tfus | 270.96 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.57; 769.26] | 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 | -3.38400e+00 | |||
| Coefficient B | 1.47424e+00 | |||
| Coefficient C | -9.08800e-04 | |||
| Coefficient D | 2.07200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 335.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 413.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 482.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 543.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 596.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 642.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 682.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 715.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 744.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 769.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021463; 0.0000760] | Pa×s | [339.50; 616.39] |
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 | -1.35819e+01 | |||
| Coefficient B | 2.52516e+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. | 339.50 | |||
| Temperature range, max. | 616.39 | |||
| η | 0.0021463 | Pa×s | 339.50 | Calculated Property |
| η | 0.0011569 | Pa×s | 370.27 | Calculated Property |
| η | 0.0006856 | Pa×s | 401.03 | Calculated Property |
| η | 0.0004377 | Pa×s | 431.80 | Calculated Property |
| η | 0.0002967 | Pa×s | 462.56 | Calculated Property |
| η | 0.0002111 | Pa×s | 493.33 | Calculated Property |
| η | 0.0001563 | Pa×s | 524.09 | Calculated Property |
| η | 0.0001197 | Pa×s | 554.86 | Calculated Property |
| η | 0.0000942 | Pa×s | 585.63 | Calculated Property |
| η | 0.0000760 | Pa×s | 616.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(trans-hex-3-enyl) ester.
Sources
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