Chemical Properties of 5H-Dibenzo[a,d]cycloheptene (CAS 256-81-5)

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

CAS

256-81-5

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
• 5H-Dibenzo[a,d]cycloheptatriene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ΔfG°	379.40	kJ/mol	Joback Calculated Property
ΔfH°gas	248.11	kJ/mol	Joback Calculated Property
ΔfusH°	20.20	kJ/mol	Joback Calculated Property
ΔvapH°	55.37	kJ/mol	Joback Calculated Property
IE	[7.60; 7.95]	eV
IE	7.60	eV	NIST
IE	7.95	eV	NIST
log10WS	-4.42		Crippen 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	616.49	K	Joback Calculated Property
Tc	873.57	K	Joback Calculated Property
Tfus	359.63	K	Joback Calculated Property
Vc	0.604	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.27; 463.71]	J/mol×K	[616.49; 873.57]
Cp,gas	383.27	J/mol×K	616.49	Joback Calculated Property
Cp,gas	399.78	J/mol×K	659.34	Joback Calculated Property
Cp,gas	414.86	J/mol×K	702.18	Joback Calculated Property
Cp,gas	428.65	J/mol×K	745.03	Joback Calculated Property
Cp,gas	441.30	J/mol×K	787.87	Joback Calculated Property
Cp,gas	452.94	J/mol×K	830.72	Joback Calculated Property
Cp,gas	463.71	J/mol×K	873.57	Joback Calculated Property
η	[0.0003468; 0.0016065]	Pa×s	[359.63; 616.49]
η	0.0016065	Pa×s	359.63	Joback Calculated Property
η	0.0010862	Pa×s	402.44	Joback Calculated Property
η	0.0007918	Pa×s	445.25	Joback Calculated Property
η	0.0006101	Pa×s	488.06	Joback Calculated Property
η	0.0004903	Pa×s	530.87	Joback Calculated Property
η	0.0004071	Pa×s	573.68	Joback Calculated Property
η	0.0003468	Pa×s	616.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5H-Dibenzo[a,d]cycloheptene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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