Chemical Properties of 5H-dibenzo[a,d]cycloheptatriene

InChI

InChI=1S/C15H12/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-10H,11H2

InChI Key

QPJORFLSOJAUNL-UHFFFAOYSA-N

Formula

C15H12

SMILES

C1=Cc2ccccc2Cc2ccccc21

Molecular Weight¹

192.26

Other Names

• Dibenzo[a,d]cycloheptatriene
• Dibenzo[a,e]cycloheptatriene
• Suberene
• 1,2:5,6-Dibenzcycloheptatriene
• 1,2:5,6-Dibenzotropilidene
• 2,3:6,7-Dibenzocycloheptatriene
• 2,3:6,7-Dibenzo-4-suberene
• Dibenzo[a,d]cycloheptene

• ω : Acentric Factor.
• 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).
• 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	0.4011		Relay (1.0) Calculated Property
ΔfH°gas	310.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.20	kJ/mol	Joback Calculated Property
ΔvapH°	80.56	kJ/mol	Relay (1.0) Calculated Property
IE	[7.60; 7.95]	eV
IE	7.60	eV	NIST
IE	7.95	eV	NIST
log10WS	-5.38		Relay (1.0) Calculated Property
logPoct/wat	3.761		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2995.87	kPa	Joback Calculated Property
Tboil	613.60	K	Relay (1.0) Calculated Property
Tc	861.18	K	Relay (1.0) Calculated Property
Tfus	397.49	K	Relay (1.0) Calculated Property
Vc	0.587	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	[182.09; 491.84]	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			-9.83600e+01
Coefficient B			1.27340e+00
Coefficient C			-9.83400e-04
Coefficient D			3.00200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.09	J/mol×K	273.00	Calculated Property
Cp,gas	242.35	J/mol×K	353.78	Calculated Property
Cp,gas	293.93	J/mol×K	434.56	Calculated Property
Cp,gas	337.79	J/mol×K	515.33	Calculated Property
Cp,gas	374.87	J/mol×K	596.11	Calculated Property
Cp,gas	406.12	J/mol×K	676.89	Calculated Property
Cp,gas	432.49	J/mol×K	757.67	Calculated Property
Cp,gas	454.94	J/mol×K	838.44	Calculated Property
Cp,gas	474.40	J/mol×K	919.22	Calculated Property
Cp,gas	491.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016065; 0.0003527]	Pa×s	[359.63; 611.69]	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			-1.01131e+01
Coefficient B			1.32325e+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.			359.63
Temperature range, max.			611.69
η	0.0016065	Pa×s	359.63	Calculated Property
η	0.0012315	Pa×s	387.64	Calculated Property
η	0.0009785	Pa×s	415.64	Calculated Property
η	0.0008003	Pa×s	443.65	Calculated Property
η	0.0006704	Pa×s	471.66	Calculated Property
η	0.0005729	Pa×s	499.67	Calculated Property
η	0.0004977	Pa×s	527.67	Calculated Property
η	0.0004386	Pa×s	555.68	Calculated Property
η	0.0003913	Pa×s	583.69	Calculated Property
η	0.0003527	Pa×s	611.69	Calculated Property

Similar Compounds

Find more compounds similar to 5H-dibenzo[a,d]cycloheptatriene.

Sources

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

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