- InChI
- InChI=1S/C22H40O4/c1-3-5-7-8-9-10-11-12-16-20-26-22(24)18-14-13-17-21(23)25-19-15-6-4-2/h4H,2-3,5-20H2,1H3
- InChI Key
- IXTSOFLLTXSSRH-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
C=CCCCOC(=O)CCCCC(=O)OCCCCCCCC
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).
- 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 | 1.0746 | Relay (1.0) Calculated Property | |
| ΔfG° | -398.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.130 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 930.64 | kPa | Joback Calculated Property |
| Tboil | 651.51 | K | Relay (1.0) Calculated Property |
| Tc | 806.58 | K | Relay (1.0) Calculated Property |
| Tfus | 278.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.261 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1046.82; 1142.03] | J/mol×K | [816.08; 999.98] | 
|
| Cp,gas | 1046.82 | J/mol×K | 816.08 | Joback Calculated Property |
| Cp,gas | 1065.49 | J/mol×K | 846.73 | Joback Calculated Property |
| Cp,gas | 1083.01 | J/mol×K | 877.38 | Joback Calculated Property |
| Cp,gas | 1099.39 | J/mol×K | 908.03 | Joback Calculated Property |
| Cp,gas | 1114.67 | J/mol×K | 938.68 | Joback Calculated Property |
| Cp,gas | 1128.88 | J/mol×K | 969.33 | Joback Calculated Property |
| Cp,gas | 1142.03 | J/mol×K | 999.98 | Joback Calculated Property |
| η | [0.0000332; 0.0011757] | Pa×s | [420.60; 816.08] |
|
| η | 0.0011757 | Pa×s | 420.60 | Joback Calculated Property |
| η | 0.0004337 | Pa×s | 486.51 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 552.43 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 618.34 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 684.25 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 750.17 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 816.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, pent-4-enyl undecyl ester.
Sources
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