Chemical Properties of Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-

InChI

InChI=1S/C20H36O6/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/h17-20H,1-16H2

InChI Key

BBGKDYHZQOSNMU-UHFFFAOYSA-N

Formula

C20H36O6

SMILES

C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1

Molecular Weight¹

372.50

Other Names

• 2,3,11,12-Dicyclohexano-1,4,7-10,13,16-hexaoxacyclooctadecane
• 2,5,8,15,18,21-Hexaoxatricyclo[20.4.0.0(9,14)]hexacosane
• Crown ether dicyclohexyl-18-crown-6
• DCH-18-crown-6
• Dicyclohexano-18-crown-6
• Dicyclohexano-18-crown-6 ether
• Dicyclohexo-18-crown-6
• Dicyclohexyl-18-crown-6
• Dicyclohexyl-18-crown-6 ether
• NSC 252171
• Perhydrodibenzo-18-crown-6
• cis-Dicyclohexano-18-crown-6
• icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1070.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.21	kJ/mol	Joback Calculated Property
ΔvapH°	113.78	kJ/mol	Relay (1.0) Calculated Property
IE	[8.60; 9.45]	eV
IE	8.60	eV	NIST
IE	9.45	eV	NIST
logPoct/wat	2.722		Crippen Calculated Property
McVol	295.300	ml/mol	McGowan Calculated Property
Tboil	745.87	K	Relay (1.0) Calculated Property
Tfus	323.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.70; 1144.39]	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			-1.43210e+02
Coefficient B			2.14880e+00
Coefficient C			-7.97200e-04
Coefficient D			-6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.70	J/mol×K	273.00	Calculated Property
Cp,gas	514.38	J/mol×K	353.78	Calculated Property
Cp,gas	634.77	J/mol×K	434.56	Calculated Property
Cp,gas	743.67	J/mol×K	515.33	Calculated Property
Cp,gas	840.87	J/mol×K	596.11	Calculated Property
Cp,gas	926.18	J/mol×K	676.89	Calculated Property
Cp,gas	999.39	J/mol×K	757.67	Calculated Property
Cp,gas	1060.29	J/mol×K	838.44	Calculated Property
Cp,gas	1108.70	J/mol×K	919.22	Calculated Property
Cp,gas	1144.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1232345; 0.0000049]	Pa×s	[323.15; 823.91]	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			-1.87638e+01
Coefficient B			5.38694e+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.			323.15
Temperature range, max.			823.91
η	0.1232345	Pa×s	323.15	Calculated Property
η	0.0106485	Pa×s	378.79	Calculated Property
η	0.0017229	Pa×s	434.43	Calculated Property
η	0.0004215	Pa×s	490.07	Calculated Property
η	0.0001374	Pa×s	545.71	Calculated Property
η	0.0000551	Pa×s	601.35	Calculated Property
η	0.0000258	Pa×s	656.99	Calculated Property
η	0.0000136	Pa×s	712.63	Calculated Property
η	0.0000079	Pa×s	768.27	Calculated Property
η	0.0000049	Pa×s	823.91	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-.

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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