Chemical Properties of 5,16:8,13-Diethenodibenzo[a,g]cyclododecane, 6,7,14,15-tetrahydro (CAS 17341-02-5)

InChI

InChI=1S/C24H24/c1-2-6-22-18-10-9-17(21(22)5-1)13-14-19-11-12-20(16-15-18)24-8-4-3-7-23(19)24/h1-10,19-20H,11-16H2/t19-,20?/m1/s1

InChI Key

YWFIZNFETZCKEP-FIWHBWSRSA-N

Formula

C24H20

SMILES

c1ccc2c(c1)C1CCc3ccc(c4ccccc34)CCC2CC1

Molecular Weight¹

308.42

CAS

17341-02-5

Other Names

• anti-(5,16:8,13)-Diethenodibenzo[a,g] cyclododecene 6,7,14,15-tetrahydro-
• [2,2]-(1,4)-Naphthalenophane

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.92	kJ/mol	Joback Calculated Property
IE	[7.30; 7.50]	eV
IE	7.30	eV	NIST
IE	7.50	eV	NIST
logPoct/wat	6.380		Crippen Calculated Property
McVol	260.320	ml/mol	McGowan Calculated Property
Tfus	487.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[310.08; 883.59]	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			-1.86010e+02
Coefficient B			2.22640e+00
Coefficient C			-1.62740e-03
Coefficient D			4.70600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.08	J/mol×K	273.00	Calculated Property
Cp,gas	418.79	J/mol×K	353.78	Calculated Property
Cp,gas	512.79	J/mol×K	434.56	Calculated Property
Cp,gas	593.55	J/mol×K	515.33	Calculated Property
Cp,gas	662.56	J/mol×K	596.11	Calculated Property
Cp,gas	721.33	J/mol×K	676.89	Calculated Property
Cp,gas	771.32	J/mol×K	757.67	Calculated Property
Cp,gas	814.04	J/mol×K	838.44	Calculated Property
Cp,gas	850.96	J/mol×K	919.22	Calculated Property
Cp,gas	883.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020192; 0.0006883]	Pa×s	[512.18; 786.38]	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			-9.29154e+00
Coefficient B			1.58084e+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.			512.18
Temperature range, max.			786.38
η	0.0020192	Pa×s	512.18	Calculated Property
η	0.0016979	Pa×s	542.65	Calculated Property
η	0.0014543	Pa×s	573.11	Calculated Property
η	0.0012653	Pa×s	603.58	Calculated Property
η	0.0011157	Pa×s	634.05	Calculated Property
η	0.0009952	Pa×s	664.51	Calculated Property
η	0.0008966	Pa×s	694.98	Calculated Property
η	0.0008149	Pa×s	725.45	Calculated Property
η	0.0007464	Pa×s	755.92	Calculated Property
η	0.0006883	Pa×s	786.38	Calculated Property

Similar Compounds

Find more compounds similar to 5,16:8,13-Diethenodibenzo[a,g]cyclododecane, 6,7,14,15-tetrahydro.

Sources

• 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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