Chemical Properties of Bicyclo[5.4.2]trideca-7,9,11,12-tetraene (CAS 33800-90-7)

InChI

InChI=1S/C13H16/c1-2-6-12-8-4-5-9-13(7-3-1)11-10-12/h4-5,8-11H,1-3,6-7H2/b5-4-,8-4-,9-5-,11-10-,12-8-,12-10-,13-9-,13-11-

InChI Key

XRXWAKCPFJMTBC-VBKZNOIUSA-N

Formula

C13H16

SMILES

C1=CC=C2C=CC(=C1)CCCCC2

Molecular Weight¹

172.27

CAS

33800-90-7

• ω : Acentric Factor.
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.40; 466.94]	J/mol×K	[556.15; 804.85]
Cp,gas	363.40	J/mol×K	556.15	Joback Calculated Property
Cp,gas	384.26	J/mol×K	597.60	Joback Calculated Property
Cp,gas	403.58	J/mol×K	639.05	Joback Calculated Property
Cp,gas	421.45	J/mol×K	680.50	Joback Calculated Property
Cp,gas	437.92	J/mol×K	721.95	Joback Calculated Property
Cp,gas	453.06	J/mol×K	763.40	Joback Calculated Property
Cp,gas	466.94	J/mol×K	804.85	Joback Calculated Property
η	[0.0001472; 0.0046615]	Pa×s	[284.07; 556.15]
η	0.0046615	Pa×s	284.07	Joback Calculated Property
η	0.0017632	Pa×s	329.42	Joback Calculated Property
η	0.0008438	Pa×s	374.76	Joback Calculated Property
η	0.0004735	Pa×s	420.11	Joback Calculated Property
η	0.0002973	Pa×s	465.46	Joback Calculated Property
η	0.0002028	Pa×s	510.80	Joback Calculated Property
η	0.0001472	Pa×s	556.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[5.4.2]trideca-7,9,11,12-tetraene.

Sources

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

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