- InChI
- InChI=1S/C16H22O6/c1-3-4-9-21-15(17)11-20-12-16(18)22-10-13-5-7-14(19-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3
- InChI Key
- CTJUMKDMFCJCIN-UHFFFAOYSA-N
- Formula
- C16H22O6
- SMILES
-
CCCCOC(=O)COCC(=O)OCc1ccc(OC)c
c1 - Molecular Weight1
- 310.34
- 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° | -491.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -902.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 239.160 | ml/mol | McGowan Calculated Property |
| Pc | 1765.41 | kPa | Joback Calculated Property |
| Inp | [2933.00; 2933.00] |
|
|
| Inp | 2933.00 | NIST | |
| Inp | 2933.00 | NIST | |
| Tboil | 794.56 | K | Joback Calculated Property |
| Tc | 995.40 | K | Joback Calculated Property |
| Tfus | 497.80 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.14; 774.12] | J/mol×K | [794.56; 995.40] |
|
| Cp,gas | 704.14 | J/mol×K | 794.56 | Joback Calculated Property |
| Cp,gas | 718.49 | J/mol×K | 828.03 | Joback Calculated Property |
| Cp,gas | 731.79 | J/mol×K | 861.51 | Joback Calculated Property |
| Cp,gas | 744.01 | J/mol×K | 894.98 | Joback Calculated Property |
| Cp,gas | 755.15 | J/mol×K | 928.46 | Joback Calculated Property |
| Cp,gas | 765.19 | J/mol×K | 961.93 | Joback Calculated Property |
| Cp,gas | 774.12 | J/mol×K | 995.40 | Joback Calculated Property |
| η | [0.0000540; 0.0004351] | Pa×s | [497.80; 794.56] |
|
| η | 0.0004351 | Pa×s | 497.80 | Joback Calculated Property |
| η | 0.0002627 | Pa×s | 547.26 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 596.72 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 646.18 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 695.64 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 745.10 | Joback Calculated Property |
| η | 0.0000540 | Pa×s | 794.56 | Joback Calculated Property |
Similar Compounds
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Sources
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