- InChI
- InChI=1S/C22H40O4/c1-4-7-8-9-10-11-12-13-14-19-25-21(23)17-18-22(24)26-20(15-5-2)16-6-3/h17-18,20H,4-16,19H2,1-3H3/b18-17+
- InChI Key
- QUWZYHSPZAIFDU-ISLYRVAYSA-N
- Formula
- C22H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OC(CC
C)CCC - Molecular Weight1
- 368.55
- 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 | 1.0503 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1016.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.129 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 990.13 | kPa | Joback Calculated Property |
| Inp | [2470.00; 2470.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Tboil | 614.39 | K | Relay (1.0) Calculated Property |
| Tc | 788.76 | K | Relay (1.0) Calculated Property |
| Tfus | 265.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.236 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.29; 1161.37] | J/mol×K | [859.06; 1052.46] |
|
| Cp,gas | 1066.29 | J/mol×K | 859.06 | Joback Calculated Property |
| Cp,gas | 1084.86 | J/mol×K | 891.29 | Joback Calculated Property |
| Cp,gas | 1102.30 | J/mol×K | 923.53 | Joback Calculated Property |
| Cp,gas | 1118.63 | J/mol×K | 955.76 | Joback Calculated Property |
| Cp,gas | 1133.90 | J/mol×K | 987.99 | Joback Calculated Property |
| Cp,gas | 1148.14 | J/mol×K | 1020.23 | Joback Calculated Property |
| Cp,gas | 1161.37 | J/mol×K | 1052.46 | Joback Calculated Property |
| η | [0.0000317; 0.0007296] | Pa×s | [461.94; 859.06] |
|
| η | 0.0007296 | Pa×s | 461.94 | Joback Calculated Property |
| η | 0.0003119 | Pa×s | 528.13 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 594.31 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 660.50 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 726.69 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 792.87 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 859.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-heptyl undecyl ester.
Sources
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