- InChI
- InChI=1S/C16H26O6/c1-3-15(17)21-13-11-19-9-7-5-6-8-10-20-12-14-22-16(18)4-2/h3-4H,1-2,5-14H2
- InChI Key
- GIMNDOUZTMKUHI-UHFFFAOYSA-N
- Formula
- C16H26O6
- SMILES
- C=CC(=O)OCCOCCCCCCOCCOC(=O)C=C
- Molecular Weight1
- 314.37
- 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 | 0.9928 | Relay (1.0) Calculated Property | |
| ΔfG° | -418.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.038 | Crippen Calculated Property | |
| McVol | 254.320 | ml/mol | McGowan Calculated Property |
| Pc | 1465.73 | kPa | Joback Calculated Property |
| Inp | 2131.00 | NIST | |
| Tboil | 614.35 | K | Relay (1.0) Calculated Property |
| Tc | 776.62 | K | Relay (1.0) Calculated Property |
| Tfus | 266.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.55; 820.33] | J/mol×K | [756.26; 937.80] | 
|
| Cp,gas | 742.55 | J/mol×K | 756.26 | Joback Calculated Property |
| Cp,gas | 757.66 | J/mol×K | 786.52 | Joback Calculated Property |
| Cp,gas | 771.92 | J/mol×K | 816.77 | Joback Calculated Property |
| Cp,gas | 785.32 | J/mol×K | 847.03 | Joback Calculated Property |
| Cp,gas | 797.85 | J/mol×K | 877.28 | Joback Calculated Property |
| Cp,gas | 809.53 | J/mol×K | 907.54 | Joback Calculated Property |
| Cp,gas | 820.33 | J/mol×K | 937.80 | Joback Calculated Property |
| η | [0.0000601; 0.0006178] | Pa×s | [455.34; 756.26] |
|
| η | 0.0006178 | Pa×s | 455.34 | Joback Calculated Property |
| η | 0.0003455 | Pa×s | 505.49 | Joback Calculated Property |
| η | 0.0002146 | Pa×s | 555.65 | Joback Calculated Property |
| η | 0.0001442 | Pa×s | 605.80 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 655.95 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 706.11 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 756.26 | Joback Calculated Property |
Similar Compounds
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Sources
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