Chemical Properties of Naphthacene, octadecahydro- (CAS 64302-84-7)

InChI

InChI=1S/C18H30/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h13-18H,1-12H2

InChI Key

WPIGRDGCRDIFME-UHFFFAOYSA-N

Formula

C18H30

SMILES

C1CCC2CC3CC4CCCCC4CC3CC2C1

Molecular Weight¹

246.43

CAS

64302-84-7

Other Names

• Perhydro-2,3-benzanthracene
• Perhydro-2,3-benzanthracene, # 1
• Perhydro-2,3-benzanthracene, # 3
• Perhydro-2,3-benzanthracene, # 2

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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	-271.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.46	kJ/mol	Joback Calculated Property
ΔvapH°	84.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-7.41		Relay (1.0) Calculated Property
logPoct/wat	5.419		Crippen Calculated Property
McVol	221.040	ml/mol	McGowan Calculated Property
Pc	1823.17	kPa	Joback Calculated Property
Inp	[1911.00; 1943.00]
Inp	1911.00		NIST
Inp	1924.00		NIST
Inp	1943.00		NIST
Tboil	622.43	K	Relay (1.0) Calculated Property
Tc	847.07	K	Relay (1.0) Calculated Property
Tfus	458.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[268.74; 890.91]	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			-2.33290e+02
Coefficient B			2.20680e+00
Coefficient C			-1.44700e-03
Coefficient D			3.64400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.74	J/mol×K	273.00	Calculated Property
Cp,gas	382.46	J/mol×K	353.78	Calculated Property
Cp,gas	482.34	J/mol×K	434.56	Calculated Property
Cp,gas	569.54	J/mol×K	515.33	Calculated Property
Cp,gas	645.21	J/mol×K	596.11	Calculated Property
Cp,gas	710.50	J/mol×K	676.89	Calculated Property
Cp,gas	766.56	J/mol×K	757.67	Calculated Property
Cp,gas	814.55	J/mol×K	838.44	Calculated Property
Cp,gas	855.61	J/mol×K	919.22	Calculated Property
Cp,gas	890.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037204; 0.0013574]	Pa×s	[334.78; 625.11]	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			-7.76489e+00
Coefficient B			7.26800e+02
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.			334.78
Temperature range, max.			625.11
η	0.0037204	Pa×s	334.78	Calculated Property
η	0.0030742	Pa×s	367.04	Calculated Property
η	0.0026197	Pa×s	399.30	Calculated Property
η	0.0022865	Pa×s	431.56	Calculated Property
η	0.0020337	Pa×s	463.82	Calculated Property
η	0.0018367	Pa×s	496.07	Calculated Property
η	0.0016795	Pa×s	528.33	Calculated Property
η	0.0015517	Pa×s	560.59	Calculated Property
η	0.0014460	Pa×s	592.85	Calculated Property
η	0.0013574	Pa×s	625.11	Calculated Property

Similar Compounds

Find more compounds similar to Naphthacene, octadecahydro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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