- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -245.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -861.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.21 | kJ/mol | Joback Calculated Property |
| log10WS | -6.61 | Crippen Calculated Property | |
| logPoct/wat | 6.130 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 979.01 | kPa | Joback Calculated Property |
| Inp | 2528.00 | NIST | |
| Tboil | 852.02 | K | Joback Calculated Property |
| Tc | 1043.34 | K | Joback Calculated Property |
| Tfus | 480.26 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.09; 1158.94] | J/mol×K | [852.02; 1043.34] | 
|
| Cp,gas | 1064.09 | J/mol×K | 852.02 | Joback Calculated Property |
| Cp,gas | 1082.68 | J/mol×K | 883.91 | Joback Calculated Property |
| Cp,gas | 1100.12 | J/mol×K | 915.79 | Joback Calculated Property |
| Cp,gas | 1116.44 | J/mol×K | 947.68 | Joback Calculated Property |
| Cp,gas | 1131.66 | J/mol×K | 979.56 | Joback Calculated Property |
| Cp,gas | 1145.82 | J/mol×K | 1011.45 | Joback Calculated Property |
| Cp,gas | 1158.94 | J/mol×K | 1043.34 | Joback Calculated Property |
| η | [0.0000426; 0.0006825] | Pa×s | [480.26; 852.02] |
|
| η | 0.0006825 | Pa×s | 480.26 | Joback Calculated Property |
| η | 0.0003301 | Pa×s | 542.22 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 604.18 | Joback Calculated Property |
| η | 0.0001158 | Pa×s | 666.14 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 728.10 | Joback Calculated Property |
| η | 0.0000564 | Pa×s | 790.06 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 852.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, pent-4-enyl undecyl ester.
Sources
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