- InChI
- InChI=1S/C19H32O4/c1-4-5-6-7-8-9-10-15-22-18(20)13-14-19(21)23-16-11-12-17(2)3/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3/b9-8-,14-13+
- InChI Key
- IUACXUGKLOXHDY-NRSBDZSJSA-N
- Formula
- C19H32O4
- SMILES
-
CCCCC/C=C\CCOC(=O)/C=C/C(=O)OC
CCC(C)C - Molecular Weight1
- 324.46
- 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).
- 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 | -881.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.592 | Crippen Calculated Property | |
| McVol | 284.850 | ml/mol | McGowan Calculated Property |
| Pc | 1172.83 | kPa | Joback Calculated Property |
| Inp | [2226.00; 2226.00] |
|
|
| Inp | 2226.00 | NIST | |
| Inp | 2226.00 | NIST | |
| Tboil | 603.00 | K | Relay (1.0) Calculated Property |
| Tc | 775.04 | K | Relay (1.0) Calculated Property |
| Tfus | 243.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [844.89; 933.49] | J/mol×K | [758.64; 941.72] |
|
| Cp,gas | 844.89 | J/mol×K | 758.64 | Joback Calculated Property |
| Cp,gas | 862.01 | J/mol×K | 789.15 | Joback Calculated Property |
| Cp,gas | 878.15 | J/mol×K | 819.67 | Joback Calculated Property |
| Cp,gas | 893.33 | J/mol×K | 850.18 | Joback Calculated Property |
| Cp,gas | 907.59 | J/mol×K | 880.69 | Joback Calculated Property |
| Cp,gas | 920.96 | J/mol×K | 911.21 | Joback Calculated Property |
| Cp,gas | 933.49 | J/mol×K | 941.72 | Joback Calculated Property |
| η | [0.0000337; 0.0020598] | Pa×s | [363.39; 758.64] |
|
| η | 0.0020598 | Pa×s | 363.39 | Joback Calculated Property |
| η | 0.0006132 | Pa×s | 429.26 | Joback Calculated Property |
| η | 0.0002520 | Pa×s | 495.14 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 561.02 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 626.89 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 692.77 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 758.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, cis-non-3-enyl isohexyl ester.
Sources
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