- InChI
- InChI=1S/C21H24O6/c22-20(26-16-14-24-18-8-3-1-4-9-18)12-7-13-21(23)27-17-15-25-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
- InChI Key
- BXYFAGKNDXOYLC-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
O=C(CCCC(=O)OCCOc1ccccc1)OCCOc
1ccccc1 - Molecular Weight1
- 372.41
- 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 | 1.0081 | Relay (... Calculated Property | |
| ΔfG° | -327.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -4.30 | Relay (... Calculated Property | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Pc | 1582.23 | kPa | Joback Calculated Property |
| Inp | [2949.00; 2949.00] |
|
|
| Inp | 2949.00 | NIST | |
| Inp | 2949.00 | NIST | |
| Tboil | 697.23 | K | Relay (... Calculated Property |
| Tc | 912.20 | K | Relay (... Calculated Property |
| Tfus | 350.56 | K | Relay (... Calculated Property |
| Vc | 1.063 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [894.98; 949.56] | J/mol×K | [930.66; 1152.50] |
|
| Cp,gas | 894.98 | J/mol×K | 930.66 | Joback Calculated Property |
| Cp,gas | 907.76 | J/mol×K | 967.63 | Joback Calculated Property |
| Cp,gas | 919.05 | J/mol×K | 1004.61 | Joback Calculated Property |
| Cp,gas | 928.86 | J/mol×K | 1041.58 | Joback Calculated Property |
| Cp,gas | 937.21 | J/mol×K | 1078.55 | Joback Calculated Property |
| Cp,gas | 944.10 | J/mol×K | 1115.53 | Joback Calculated Property |
| Cp,gas | 949.56 | J/mol×K | 1152.50 | Joback Calculated Property |
| η | [0.0000267; 0.0002630] | Pa×s | [568.05; 930.66] |
|
| η | 0.0002630 | Pa×s | 568.05 | Joback Calculated Property |
| η | 0.0001495 | Pa×s | 628.49 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 688.92 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 749.36 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 809.79 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 870.23 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 930.66 | Joback Calculated Property |
Similar Compounds
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Sources
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