- InChI
- InChI=1S/C29H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-28(30)22-19-20-23-29(31)33-26-24-27(2)3/h2,4-26H2,1,3H3
- InChI Key
- NLTYUYKYLIXUSJ-UHFFFAOYSA-N
- Formula
- C29H54O4
- SMILES
-
C=C(C)CCOC(=O)CCCCC(=O)OCCCCCC
CCCCCCCCCCCC - Molecular Weight1
- 466.74
- 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 | 1.3137 | Relay (... Calculated Property | |
| ΔfG° | -195.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1160.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 73.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.14 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -7.78 | Relay (... Calculated Property | |
| logPoct/wat | 8.861 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 670.12 | kPa | Joback Calculated Property |
| Inp | 3235.00 | NIST | |
| Tboil | 686.75 | K | Relay (... Calculated Property |
| Tc | 844.11 | K | Relay (... Calculated Property |
| Tfus | 303.25 | K | Relay (... Calculated Property |
| Vc | 1.648 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1508.79; 1616.09] | J/mol×K | [1012.06; 1258.72] | 
|
| Cp,gas | 1508.79 | J/mol×K | 1012.06 | Joback Calculated Property |
| Cp,gas | 1531.49 | J/mol×K | 1053.17 | Joback Calculated Property |
| Cp,gas | 1552.14 | J/mol×K | 1094.28 | Joback Calculated Property |
| Cp,gas | 1570.83 | J/mol×K | 1135.39 | Joback Calculated Property |
| Cp,gas | 1587.66 | J/mol×K | 1176.50 | Joback Calculated Property |
| Cp,gas | 1602.71 | J/mol×K | 1217.61 | Joback Calculated Property |
| Cp,gas | 1616.09 | J/mol×K | 1258.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbut-3-enyl octadecyl ester.
Sources
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