- InChI
- InChI=1S/C16H28O5/c1-4-5-6-9-12-20-15(18)10-7-8-11-16(19)21-14(3)13(2)17/h14H,4-12H2,1-3H3
- InChI Key
- REZVKAGCPPLRHT-UHFFFAOYSA-N
- Formula
- C16H28O5
- SMILES
-
CCCCCCOC(=O)CCCCC(=O)OC(C)C(C)
=O - Molecular Weight1
- 300.39
- 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° | -515.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -981.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.88 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 252.750 | ml/mol | McGowan Calculated Property |
| Pc | 1489.58 | kPa | Joback Calculated Property |
| Inp | [2025.00; 2025.00] |
|
|
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Tboil | 771.49 | K | Joback Calculated Property |
| Tc | 957.72 | K | Joback Calculated Property |
| Tfus | 449.33 | K | Joback Calculated Property |
| Vc | 0.980 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [756.61; 835.81] | J/mol×K | [771.49; 957.72] |
|
| Cp,gas | 756.61 | J/mol×K | 771.49 | Joback Calculated Property |
| Cp,gas | 772.06 | J/mol×K | 802.53 | Joback Calculated Property |
| Cp,gas | 786.59 | J/mol×K | 833.57 | Joback Calculated Property |
| Cp,gas | 800.23 | J/mol×K | 864.60 | Joback Calculated Property |
| Cp,gas | 812.97 | J/mol×K | 895.64 | Joback Calculated Property |
| Cp,gas | 824.83 | J/mol×K | 926.68 | Joback Calculated Property |
| Cp,gas | 835.81 | J/mol×K | 957.72 | Joback Calculated Property |
| η | [0.0000826; 0.0011537] | Pa×s | [449.33; 771.49] |
|
| η | 0.0011537 | Pa×s | 449.33 | Joback Calculated Property |
| η | 0.0005879 | Pa×s | 503.02 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 556.72 | Joback Calculated Property |
| η | 0.0002179 | Pa×s | 610.41 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 664.10 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 717.80 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 771.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexyl 3-oxobut-2-yl ester.
Sources
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