Chemical Properties of 2,3,6,7-Dibenzofluorene

InChI

InChI=1S/C21H12O/c22-21-19-11-15-7-3-1-5-13(15)9-17(19)18-10-14-6-2-4-8-16(14)12-20(18)21/h1-12H

InChI Key

JZNRMTLFMCNYBH-UHFFFAOYSA-N

Formula

C21H12O

SMILES

O=C1c2cc3ccccc3cc2-c2cc3ccccc3cc21

Molecular Weight¹

280.33

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6884		Relay (1.0) Calculated Property
ΔfH°gas	194.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔvapH°	131.99	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-8.27		Relay (1.0) Calculated Property
logPoct/wat	5.204		Crippen Calculated Property
McVol	211.020	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[453.60; 455.00]
Inp	453.60		NIST
Inp	455.00		NIST
Tboil	779.49	K	Relay (1.0) Calculated Property
Tc	1115.86	K	Relay (1.0) Calculated Property
Tfus	586.12	K	Relay (1.0) Calculated Property
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.11; 640.61]	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			-9.92100e+01
Coefficient B			1.62390e+00
Coefficient C			-1.31068e-03
Coefficient D			4.26600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.11	J/mol×K	273.00	Calculated Property
Cp,gas	330.14	J/mol×K	353.78	Calculated Property
Cp,gas	393.97	J/mol×K	434.56	Calculated Property
Cp,gas	447.95	J/mol×K	515.33	Calculated Property
Cp,gas	493.43	J/mol×K	596.11	Calculated Property
Cp,gas	531.77	J/mol×K	676.89	Calculated Property
Cp,gas	564.31	J/mol×K	757.67	Calculated Property
Cp,gas	592.39	J/mol×K	838.44	Calculated Property
Cp,gas	617.38	J/mol×K	919.22	Calculated Property
Cp,gas	640.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6,7-Dibenzofluorene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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