- InChI
- InChI=1S/C16H28O5/c1-12(2)8-7-11-20-15(18)9-5-6-10-16(19)21-14(4)13(3)17/h12,14H,5-11H2,1-4H3
- InChI Key
- KBIOMBDNDXGHLQ-UHFFFAOYSA-N
- Formula
- C16H28O5
- SMILES
-
CC(=O)C(C)OC(=O)CCCCC(=O)OCCCC
(C)C - 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° | -517.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -986.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 3.047 | Crippen Calculated Property | |
| McVol | 252.750 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | [2004.00; 2004.00] |
|
|
| Inp | 2004.00 | NIST | |
| Inp | 2004.00 | NIST | |
| Tboil | 771.05 | K | Joback Calculated Property |
| Tc | 959.08 | K | Joback Calculated Property |
| Tfus | 434.33 | K | Joback Calculated Property |
| Vc | 0.974 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.14; 836.89] | J/mol×K | [771.05; 959.08] |
|
| Cp,gas | 757.14 | J/mol×K | 771.05 | Joback Calculated Property |
| Cp,gas | 772.74 | J/mol×K | 802.39 | Joback Calculated Property |
| Cp,gas | 787.40 | J/mol×K | 833.73 | Joback Calculated Property |
| Cp,gas | 801.14 | J/mol×K | 865.07 | Joback Calculated Property |
| Cp,gas | 813.97 | J/mol×K | 896.40 | Joback Calculated Property |
| Cp,gas | 825.88 | J/mol×K | 927.74 | Joback Calculated Property |
| Cp,gas | 836.89 | J/mol×K | 959.08 | Joback Calculated Property |
| η | [0.0000760; 0.0013691] | Pa×s | [434.33; 771.05] |
|
| η | 0.0013691 | Pa×s | 434.33 | Joback Calculated Property |
| η | 0.0006419 | Pa×s | 490.45 | Joback Calculated Property |
| η | 0.0003516 | Pa×s | 546.57 | Joback Calculated Property |
| η | 0.0002154 | Pa×s | 602.69 | Joback Calculated Property |
| η | 0.0001435 | Pa×s | 658.81 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 714.93 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 771.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl 3-oxobut-2-yl ester.
Sources
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