Chemical Properties of 5,6,6a,7,8,12b,12c-Octahydrodibenzo[a,i]biphenylene

InChI

InChI=1S/C20H20/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)19(15)17/h1-8,17-20H,9-12H2

InChI Key

LKMAMCWAHCZBAI-UHFFFAOYSA-N

Formula

C20H20

SMILES

c1ccc2c(c1)CCC1C3CCc4ccccc4C3C21

Molecular Weight¹

260.38

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-10808.70; -10808.70]	kJ/mol
ΔcH°solid	-10808.70 ± 1.50	kJ/mol	NIST
ΔcH°solid	-10808.70 ± 1.50	kJ/mol	NIST
ΔfH°solid	[80.10; 80.10]	kJ/mol
ΔfH°solid	80.10 ± 1.80	kJ/mol	NIST
ΔfH°solid	80.10 ± 1.80	kJ/mol	NIST
ΔfusH°	32.44	kJ/mol	Joback Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
logPoct/wat	4.692		Crippen Calculated Property
McVol	212.560	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Tboil	650.74	K	Relay (1.0) Calculated Property
Tc	940.49	K	Relay (1.0) Calculated Property
Tfus	429.81	K	Relay (1.0) Calculated Property
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.17; 752.11]	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			-1.94170e+02
Coefficient B			2.06280e+00
Coefficient C			-1.64412e-03
Coefficient D			5.27600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.17	J/mol×K	273.00	Calculated Property
Cp,gas	353.19	J/mol×K	353.78	Calculated Property
Cp,gas	435.05	J/mol×K	434.56	Calculated Property
Cp,gas	504.44	J/mol×K	515.33	Calculated Property
Cp,gas	563.01	J/mol×K	596.11	Calculated Property
Cp,gas	612.44	J/mol×K	676.89	Calculated Property
Cp,gas	654.40	J/mol×K	757.67	Calculated Property
Cp,gas	690.55	J/mol×K	838.44	Calculated Property
Cp,gas	722.57	J/mol×K	919.22	Calculated Property
Cp,gas	752.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042492; 0.0037761]	Pa×s	[446.14; 689.06]	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			-5.79586e+00
Coefficient B			1.49380e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			446.14
Temperature range, max.			689.06
η	0.0042492	Pa×s	446.14	Calculated Property
η	0.0041688	Pa×s	473.13	Calculated Property
η	0.0040984	Pa×s	500.12	Calculated Property
η	0.0040361	Pa×s	527.11	Calculated Property
η	0.0039808	Pa×s	554.10	Calculated Property
η	0.0039313	Pa×s	581.10	Calculated Property
η	0.0038867	Pa×s	608.09	Calculated Property
η	0.0038463	Pa×s	635.08	Calculated Property
η	0.0038096	Pa×s	662.07	Calculated Property
η	0.0037761	Pa×s	689.06	Calculated Property

Similar Compounds

Find more compounds similar to 5,6,6a,7,8,12b,12c-Octahydrodibenzo[a,i]biphenylene.

Sources

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

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