- InChI
- InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2
- InChI Key
- YSSSPARMOAYJTE-UHFFFAOYSA-N
- Formula
- C20H24O6
- SMILES
-
c1ccc2c(c1)OCCOCCOc1ccccc1OCCO
CCO2 - Molecular Weight1
- 360.40
- CAS
- 14187-32-7
- Other Names
-
- 2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane
- 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
- Crown ether dibenzo-18-crown-6
- Dibenzo-18-crown-6-ether
- Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-
- NSC 147771
- crown 18
- crown-18
- dibenzo[a,j]-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene
- dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecane
- dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21- octahydro-
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 | 0.6376 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -10477.80 ± 4.80 | kJ/mol | NIST |
| ΔfG° | -258.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -822.40 ± 2.40 | kJ/mol | NIST |
| ΔfusH° | 55.95 | kJ/mol | Enthalpies of fusion, vaporisation and sublimation of crown ethers determined by thermogravimetry and differential scanning calorimetry |
| ΔsubH° | 178.80 ± 6.90 | kJ/mol | NIST |
| ΔvapH° | 137.00 ± 7.40 | kJ/mol | NIST |
| IE | [7.60; 7.80] | eV |
|
| IE | 7.60 | eV | NIST |
| IE | 7.80 | eV | NIST |
| IE | 7.70 | eV | NIST |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.949 | Crippen Calculated Property | |
| McVol | 269.500 | ml/mol | McGowan Calculated Property |
| Pc | 2220.80 | kPa | Joback Calculated Property |
| Tboil | 751.36 | K | Relay (1.0) Calculated Property |
| Tc | 988.00 | K | Relay (1.0) Calculated Property |
| Tfus | [434.00; 435.00] | K |
|
| Tfus | 435.00 ± 0.20 | K | NIST |
| Tfus | 434.00 ± 1.00 | K | NIST |
| Vc | 0.914 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [899.91; 939.31] | J/mol×K | [940.40; 1224.46] |
|
| Cp,gas | 899.91 | J/mol×K | 940.40 | Joback Calculated Property |
| Cp,gas | 914.55 | J/mol×K | 987.74 | Joback Calculated Property |
| Cp,gas | 925.82 | J/mol×K | 1035.09 | Joback Calculated Property |
| Cp,gas | 933.72 | J/mol×K | 1082.43 | Joback Calculated Property |
| Cp,gas | 938.22 | J/mol×K | 1129.78 | Joback Calculated Property |
| Cp,gas | 939.31 | J/mol×K | 1177.12 | Joback Calculated Property |
| Cp,gas | 936.98 | J/mol×K | 1224.46 | Joback Calculated Property |
| η | [0.0000015; 0.0001312] | Pa×s | [535.92; 940.40] |
|
| η | 0.0001312 | Pa×s | 535.92 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 603.33 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 670.75 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 738.16 | Joback Calculated Property |
| η | 0.0000040 | Pa×s | 805.57 | Joback Calculated Property |
| η | 0.0000023 | Pa×s | 872.99 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 940.40 | Joback Calculated Property |
| ΔfusH | [57.45; 57.46] | kJ/mol | [435.75; 435.80] |
|
| ΔfusH | 57.46 | kJ/mol | 435.75 | NIST |
| ΔfusH | 57.45 | kJ/mol | 435.80 | NIST |
Similar Compounds
Find more compounds similar to Dibenzo-18-crown-6.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Enthalpies of fusion, vaporisation and sublimation of crown ethers determined by thermogravimetry and differential scanning calorimetry
- Joback Method
- McGowan Method
- NIST Webbook
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