Chemical Properties of 1,2-Cyclobuta-3,4:5,6 bicyclopentabenzene

InChI

InChI=1S/C14H16/c1-3-9-10-4-2-6-12(10)14-8-7-13(14)11(9)5-1/h1-8H2

InChI Key

LWTCAZSEGNGWRU-UHFFFAOYSA-N

Formula

C14H16

SMILES

C1Cc2c3c(c4c(c2C1)CC4)CCC3

Molecular Weight¹

184.28

Other Names

• 1,2-Cyclobuteno-3,4:5,6-bi(cyclopenteno)benzene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.74; 525.33]	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			-1.35670e+02
Coefficient B			1.49920e+00
Coefficient C			-1.30700e-03
Coefficient D			4.68800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.74	J/mol×K	273.00	Calculated Property
Cp,gas	251.89	J/mol×K	353.78	Calculated Property
Cp,gas	307.47	J/mol×K	434.56	Calculated Property
Cp,gas	353.98	J/mol×K	515.33	Calculated Property
Cp,gas	392.88	J/mol×K	596.11	Calculated Property
Cp,gas	425.67	J/mol×K	676.89	Calculated Property
Cp,gas	453.83	J/mol×K	757.67	Calculated Property
Cp,gas	478.84	J/mol×K	838.44	Calculated Property
Cp,gas	502.18	J/mol×K	919.22	Calculated Property
Cp,gas	525.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026232; 0.0019552]	Pa×s	[406.62; 587.60]	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			-6.89753e+00
Coefficient B			3.87980e+02
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.			406.62
Temperature range, max.			587.60
η	0.0026232	Pa×s	406.62	Calculated Property
η	0.0025078	Pa×s	426.73	Calculated Property
η	0.0024073	Pa×s	446.84	Calculated Property
η	0.0023189	Pa×s	466.95	Calculated Property
η	0.0022407	Pa×s	487.06	Calculated Property
η	0.0021711	Pa×s	507.17	Calculated Property
η	0.0021086	Pa×s	527.28	Calculated Property
η	0.0020524	Pa×s	547.38	Calculated Property
η	0.0020015	Pa×s	567.49	Calculated Property
η	0.0019552	Pa×s	587.60	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclobuta-3,4:5,6 bicyclopentabenzene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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