- InChI
- InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-14-18-25-21(23)15-12-13-16-22(24)26-19-17-20(2)3/h2,4-19H2,1,3H3
- InChI Key
- FSXABSRTCKXTGZ-UHFFFAOYSA-N
- Formula
- C22H40O4
- SMILES
-
C=C(C)CCOC(=O)CCCCC(=O)OCCCCCC
CCCCC - Molecular Weight1
- 368.55
- 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 | 1.0678 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.130 | Crippen Calculated Property | |
| McVol | 331.420 | ml/mol | McGowan Calculated Property |
| Pc | 982.08 | kPa | Joback Calculated Property |
| Inp | 2517.00 | NIST | |
| Tboil | 640.18 | K | Relay (1.0) Calculated Property |
| Tc | 797.10 | K | Relay (1.0) Calculated Property |
| Tfus | 277.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.263 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1063.71; 1158.75] | J/mol×K | [851.90; 1043.44] | 
|
| Cp,gas | 1063.71 | J/mol×K | 851.90 | Joback Calculated Property |
| Cp,gas | 1082.32 | J/mol×K | 883.82 | Joback Calculated Property |
| Cp,gas | 1099.78 | J/mol×K | 915.75 | Joback Calculated Property |
| Cp,gas | 1116.13 | J/mol×K | 947.67 | Joback Calculated Property |
| Cp,gas | 1131.39 | J/mol×K | 979.59 | Joback Calculated Property |
| Cp,gas | 1145.59 | J/mol×K | 1011.52 | Joback Calculated Property |
| Cp,gas | 1158.75 | J/mol×K | 1043.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbut-3-enyl undecyl ester.
Sources
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