- 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-XGNNSBLXSA-N
- Formula
- C16H24O4
- SMILES
-
CC/C=C\CCOC(=O)/C=C/C(=O)OCC/C
=C\CC - Molecular Weight1
- 280.36
- Other Names
-
- (Z)-Hexenyl fumarate
- 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).
- 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 | -739.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 238.280 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Tboil | 573.49 | K | Relay (1.0) Calculated Property |
| Tc | 747.34 | K | Relay (1.0) Calculated Property |
| Tfus | 236.22 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.30; 742.28] | J/mol×K | [730.54; 921.10] | 
|
| Cp,gas | 663.30 | J/mol×K | 730.54 | Joback Calculated Property |
| Cp,gas | 678.33 | J/mol×K | 762.30 | Joback Calculated Property |
| Cp,gas | 692.57 | J/mol×K | 794.06 | Joback Calculated Property |
| Cp,gas | 706.05 | J/mol×K | 825.82 | Joback Calculated Property |
| Cp,gas | 718.80 | J/mol×K | 857.58 | Joback Calculated Property |
| Cp,gas | 730.86 | J/mol×K | 889.34 | Joback Calculated Property |
| Cp,gas | 742.28 | J/mol×K | 921.10 | Joback Calculated Property |
| η | [0.0000598; 0.0010046] | Pa×s | [399.16; 730.54] |
|
| η | 0.0010046 | Pa×s | 399.16 | Joback Calculated Property |
| η | 0.0004718 | Pa×s | 454.39 | Joback Calculated Property |
| η | 0.0002610 | Pa×s | 509.62 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 564.85 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 620.08 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 675.31 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 730.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(cis-hex-3-enyl) ester.
Sources
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