- InChI
- InChI=1S/C26H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-29-25(27)19-16-17-20-26(28)30-23-21-24(2)3/h2,4-23H2,1,3H3
- InChI Key
- CZJPBDVEKRMLRE-UHFFFAOYSA-N
- Formula
- C26H48O4
- SMILES
-
C=C(C)CCOC(=O)CCCCC(=O)OCCCCCC
CCCCCCCCC - Molecular Weight1
- 424.66
- 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 | 1.2082 | Relay (... Calculated Property | |
| ΔfG° | -220.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1099.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 66.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.53 | kJ/mol | Relay (... Calculated Property |
| IE | 9.32 | eV | Relay (... Calculated Property |
| log10WS | -6.80 | Relay (... Calculated Property | |
| logPoct/wat | 7.691 | Crippen Calculated Property | |
| McVol | 387.780 | ml/mol | McGowan Calculated Property |
| Pc | 782.43 | kPa | Joback Calculated Property |
| Inp | 2922.00 | NIST | |
| Tboil | 667.21 | K | Relay (... Calculated Property |
| Tc | 825.24 | K | Relay (... Calculated Property |
| Tfus | 293.79 | K | Relay (... Calculated Property |
| Vc | 1.483 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1315.18; 1416.95] | J/mol×K | [943.42; 1159.51] | 
|
| Cp,gas | 1315.18 | J/mol×K | 943.42 | Joback Calculated Property |
| Cp,gas | 1335.85 | J/mol×K | 979.44 | Joback Calculated Property |
| Cp,gas | 1354.96 | J/mol×K | 1015.45 | Joback Calculated Property |
| Cp,gas | 1372.58 | J/mol×K | 1051.47 | Joback Calculated Property |
| Cp,gas | 1388.75 | J/mol×K | 1087.48 | Joback Calculated Property |
| Cp,gas | 1403.52 | J/mol×K | 1123.50 | Joback Calculated Property |
| Cp,gas | 1416.95 | J/mol×K | 1159.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbut-3-enyl pentadecyl ester.
Sources
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