- InChI
- InChI=1S/C19H28O4/c1-4-5-6-9-22-17(20)7-8-18(21)23-13-14-10-15-12-16(11-14)19(15,2)3/h7-8,10,15-16H,4-6,9,11-13H2,1-3H3/b8-7+
- InChI Key
- YSLLUVNGWBKQTK-BQYQJAHWSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)OCC1=CC2CC(
C1)C2(C)C - Molecular Weight1
- 320.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7319 | Relay (... Calculated Property | |
| ΔfG° | -161.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -721.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.27 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -5.15 | Relay (... Calculated Property | |
| logPoct/wat | 3.812 | Crippen Calculated Property | |
| McVol | 263.130 | ml/mol | McGowan Calculated Property |
| Pc | 1502.31 | kPa | Joback Calculated Property |
| Inp | 2243.00 | NIST | |
| Tboil | 601.50 | K | Relay (... Calculated Property |
| Tc | 842.49 | K | Relay (... Calculated Property |
| Tfus | 346.64 | K | Relay (... Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.39; 931.68] | J/mol×K | [808.32; 1013.66] | 
|
| Cp,gas | 827.39 | J/mol×K | 808.32 | Joback Calculated Property |
| Cp,gas | 845.67 | J/mol×K | 842.54 | Joback Calculated Property |
| Cp,gas | 863.42 | J/mol×K | 876.77 | Joback Calculated Property |
| Cp,gas | 880.76 | J/mol×K | 910.99 | Joback Calculated Property |
| Cp,gas | 897.82 | J/mol×K | 945.21 | Joback Calculated Property |
| Cp,gas | 914.75 | J/mol×K | 979.43 | Joback Calculated Property |
| Cp,gas | 931.68 | J/mol×K | 1013.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, myrtenyl pentyl ester.
Sources
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