- InChI
- InChI=1S/C18H32O5/c1-4-5-6-7-8-11-14-22-17(20)12-9-10-13-18(21)23-16(3)15(2)19/h16H,4-14H2,1-3H3
- InChI Key
- DNYQMGPBUNRZQV-UHFFFAOYSA-N
- Formula
- C18H32O5
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)OC(C)C(
C)=O - Molecular Weight1
- 328.44
- 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° | -498.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1022.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 3.971 | Crippen Calculated Property | |
| McVol | 280.930 | ml/mol | McGowan Calculated Property |
| Pc | 1291.14 | kPa | Joback Calculated Property |
| Inp | 2230.00 | NIST | |
| Tboil | 817.25 | K | Joback Calculated Property |
| Tc | 1006.29 | K | Joback Calculated Property |
| Tfus | 471.87 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [872.85; 954.72] | J/mol×K | [817.25; 1006.29] | 
|
| Cp,gas | 872.85 | J/mol×K | 817.25 | Joback Calculated Property |
| Cp,gas | 889.00 | J/mol×K | 848.76 | Joback Calculated Property |
| Cp,gas | 904.13 | J/mol×K | 880.26 | Joback Calculated Property |
| Cp,gas | 918.25 | J/mol×K | 911.77 | Joback Calculated Property |
| Cp,gas | 931.39 | J/mol×K | 943.28 | Joback Calculated Property |
| Cp,gas | 943.54 | J/mol×K | 974.78 | Joback Calculated Property |
| Cp,gas | 954.72 | J/mol×K | 1006.29 | Joback Calculated Property |
| η | [0.0000621; 0.0009340] | Pa×s | [471.87; 817.25] |
|
| η | 0.0009340 | Pa×s | 471.87 | Joback Calculated Property |
| η | 0.0004651 | Pa×s | 529.43 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 587.00 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 644.56 | Joback Calculated Property |
| η | 0.0001140 | Pa×s | 702.12 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 759.69 | Joback Calculated Property |
| η | 0.0000621 | Pa×s | 817.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, octyl 3-oxobut-2-yl ester.
Sources
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