- InChI
- InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
- InChI Key
- XEZNGIUYQVAUSS-UHFFFAOYSA-N
- Formula
- C12H24O6
- SMILES
- C1COCCOCCOCCOCCOCCO1
- Molecular Weight1
- 264.32
- CAS
- 17455-13-9
- Other Names
-
- 18-crown-6
- 18-crown-6 ether
- 18-crown-6- ether
- Crown ether 18-crown-6
- ethylene oxide cyclic hexamer
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Tfus(P) : Melting 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 | 0.4462 | Relay (1.0) Calculated Property | |
| PAff | 967.00 | kJ/mol | NIST |
| BasG | 909.50 | kJ/mol | NIST |
| ΔcH°liquid | -7061.80 ± 7.50 | kJ/mol | NIST |
| ΔcH°solid | -7071.00 ± 4.90 | kJ/mol | NIST |
| ΔfG° | -579.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1081.10 ± 2.80 | kJ/mol | NIST |
| ΔfusH° | 35.50 | kJ/mol | The Water 18-Crown-6 System: Experimental Investigation and Thermodynamic Modeling |
| ΔsubH° | 119.10 ± 6.70 | kJ/mol | NIST |
| ΔvapH° | 86.10 ± 6.70 | kJ/mol | NIST |
| IE | [8.90; 9.70] | eV |
|
| IE | 8.90 | eV | NIST |
| IE | 9.70 | eV | NIST |
| IE | 9.70 | eV | NIST |
| log10WS | -0.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.100 | Crippen Calculated Property | |
| McVol | 204.300 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Ip | [2504.00; 2504.00] |
|
|
| Ip | 2504.00 | NIST | |
| Ip | 2504.00 | NIST | |
| Tboil | 637.57 | K | Relay (1.0) Calculated Property |
| Tc | 815.45 | K | Relay (1.0) Calculated Property |
| Tfus | [310.00; 316.50] | K |
|
| Tfus | 312.25 | K | Structure and properties of congruent melting 18-crown-6 crystalline hydrates |
| Tfus | 312.32 | K | Enthalpies of fusion, vaporisation and sublimation of crown ethers determined by thermogravimetry and differential scanning calorimetry |
| Tfus | 316.50 | K | Static Dielectric Permittivity of Homologous Series of Liquid Cyclic Ethers, 3n-Crown-n, n = 4 to 6 |
| Tfus | 312.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 310.00 ± 1.00 | K | NIST |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 34.00 | kJ/mol | 312.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 391.50 ± 0.50 | K | 0.01 | NIST |
| Tfus(P) | 311.76 | K | 101.30 | (Solid + liquid) phase equilibria of binary mixtures containing N-methyl-2-pyrrolidinone and ethers at atmospheric pressure |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.12; 755.31] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.70900e+01 | |||
| Coefficient B | 1.15920e+00 | |||
| Coefficient C | -1.25200e-04 | |||
| Coefficient D | -2.41600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 265.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 346.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 423.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 493.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 558.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 615.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 664.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 704.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 735.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 755.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0758830; 0.0000035] | Pa×s | [312.64; 687.20] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -2.09188e+01 | |||
| Coefficient B | 5.73398e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 312.64 | |||
| Temperature range, max. | 687.20 | |||
| η | 0.0758830 | Pa×s | 312.64 | Calculated Property |
| η | 0.0087992 | Pa×s | 354.26 | Calculated Property |
| η | 0.0016050 | Pa×s | 395.88 | Calculated Property |
| η | 0.0004047 | Pa×s | 437.49 | Calculated Property |
| η | 0.0001296 | Pa×s | 479.11 | Calculated Property |
| η | 0.0000498 | Pa×s | 520.73 | Calculated Property |
| η | 0.0000220 | Pa×s | 562.35 | Calculated Property |
| η | 0.0000109 | Pa×s | 603.96 | Calculated Property |
| η | 0.0000059 | Pa×s | 645.58 | Calculated Property |
| η | 0.0000035 | Pa×s | 687.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4,7,10,13,16-Hexaoxacyclooctadecane.
Mixtures
- Rubidium chloride + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- caesium chloride + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- sodium chloride + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- 2-Pyrrolidinone, 1-methyl- + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- potassium chloride + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Carbon Tetrachloride + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Glucose + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Galactose + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Fructose + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane + L-Arabinose
- lithium bromide + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
- Hydroquinone + Water + 1,4,7,10,13,16-Hexaoxacyclooctadecane
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- (Solid + liquid) phase equilibria of binary mixtures containing N-methyl-2-pyrrolidinone and ethers at atmospheric pressure
- The experimental study on the influence of crown ethers and glycols on the mutual solubility of lithium bromide in water
- Thermodynamics of complexation of aqueous 18-crown-6 with potassium ion: apparent molar volumes and apparent molar heat capacities of aqueous 18-crown-6 and of the (18-crown-6 + potassium chloride) complex at temperatures (278.15 to 393.15) K, at molalities (0.02 to 0.3) mol.kg-1, and at the pressure 0.35 MPa
- Thermodynamics of complexation of aqueous 18-crown-6 with barium ion: apparent molar volumes and apparent molar heat capacities of aqueous (18-crown-6 + barium nitrate) at temperatures (278.15 to 393.15) K, at molalities (0.02 to 0.33) mol.kg-1, and at the pressure 0.35 MPa
- Thermodynamics of complexation of aqueous 18-crown-6 with sodium ion: apparent molar volumes and apparent molar heat capacities of aqueous (18-crown-6 + sodium chloride) at temperatures (278.15 to 393.15) K, at molalities (0.02 to 0.30) mol*kg-1, and at the pressure 0.35 MPa.
- Compressibility studies of aqueous and CCl4 solutions of 18-crown-6 at T = 298.15 K
- Thermodynamics of complexation of aqueous 18-crown-6 with rubidium and cesium ions: Apparent molar volumes and apparent molar heat capacities of aqueous (18-crown-6 + rubidium chloride) and (18-crown-6 + cesium chloride) at temperatures (278.15 to 393.15) K, at molalities (0.02 to 0.33) mol.kg-1, and at the pressure 0.35 MPa
- Thermochemical behaviour of crown ethers in the mixtures of water with organic solvents. Part IX. Effect of base acid properties of {(1 x)AN + xH2O} on the solution enthalpy of cyclic ethers in this mixed solvent at T = 298.15 K
- Partial molar volumes of organic solutes in water. XXVI. 15-Crown-5 and 18-crown-6 ethers at temperatures (298 to 573) K and pressures up to 30 MPa
- Selective interactions of 18-crown-6 with d-glucose and d-galactose in aqueous solutions: Titration calorimetry, densimetry, viscosimetry
- Thermochemical behavior of 18-crown-6 in aqueous solutions of some monosaccharides
- Structure and properties of congruent melting 18-crown-6 crystalline hydrates
- Use of quantitative structure property relationships to study the solvation process of 18-crown-6
- Enthalpies of fusion, vaporisation and sublimation of crown ethers determined by thermogravimetry and differential scanning calorimetry
- Viscosity Behavior of 18-Crown-6 in Aqueous and Carbon Tetrachloride Solutions at Different Temperatures and at Ambient Pressure
- Effect of Temperature on the Process of Hydrophobic Hydration. Part II. Hydrophobic Hydration of 15-Crown-5 and 18-Crown-6 Ethers
- Effect of Base Acid Properties of the Mixture of Water with Propan-1-ol on the Solution Enthalpy of Cyclic Ethers in This Mixture at T = 298.15 K
- Static Dielectric Permittivity of Homologous Series of Liquid Cyclic Ethers, 3n-Crown-n, n = 4 to 6
- The Water 18-Crown-6 System: Experimental Investigation and Thermodynamic Modeling
- Partial Molar Volumes and Partial Molar Isentropic Compressions of 15-Crown-5 and 18-Crown-6 Ethers at Infinite Dilution in Water at Temperatures T = (278 to 343) K and Atmospheric Pressure
- Activity Coefficient Studies in Ternary Aqueous Solutions at 298.15 K: H2O + r-Cyclodextrin + Potassium Acetate and H2O + 18-Crown-6 + Hydroquinone Systems
- Joback Method
- McGowan Method
- NIST Webbook
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