- InChI
- InChI=1S/C28H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)22-19-20-23-28(31)33-26(3)25(2)29/h26H,4-24H2,1-3H3
- InChI Key
- HJBJHVIWAVIHHY-UHFFFAOYSA-N
- Formula
- C28H52O5
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(
=O)OC(C)C(C)=O - Molecular Weight1
- 468.71
- 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).
- 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 | 1.3089 | Relay (1.0) Calculated Property | |
| ΔfG° | -414.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1362.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.872 | Crippen Calculated Property | |
| McVol | 421.830 | ml/mol | McGowan Calculated Property |
| Pc | 713.77 | kPa | Joback Calculated Property |
| Inp | 3237.00 | NIST | |
| Tboil | 662.67 | K | Relay (1.0) Calculated Property |
| Tc | 850.24 | K | Relay (1.0) Calculated Property |
| Tfus | 338.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.614 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1493.07; 1583.38] | J/mol×K | [1046.05; 1303.92] | 
|
| Cp,gas | 1493.07 | J/mol×K | 1046.05 | Joback Calculated Property |
| Cp,gas | 1513.56 | J/mol×K | 1089.03 | Joback Calculated Property |
| Cp,gas | 1531.76 | J/mol×K | 1132.01 | Joback Calculated Property |
| Cp,gas | 1547.75 | J/mol×K | 1174.98 | Joback Calculated Property |
| Cp,gas | 1561.63 | J/mol×K | 1217.96 | Joback Calculated Property |
| Cp,gas | 1573.48 | J/mol×K | 1260.94 | Joback Calculated Property |
| Cp,gas | 1583.38 | J/mol×K | 1303.92 | Joback Calculated Property |
| η | [0.0000133; 0.0002649] | Pa×s | [584.57; 1046.05] |
|
| η | 0.0002649 | Pa×s | 584.57 | Joback Calculated Property |
| η | 0.0001203 | Pa×s | 661.48 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 738.40 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 815.31 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 892.22 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 969.14 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 1046.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, octadecyl 3-oxobut-2-yl ester.
Sources
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