Chemical Properties of Tricyclobutenobenzene (CAS 60323-52-6)

InChI

InChI=1S/C12H12/c1-2-8-7(1)9-3-4-11(9)12-6-5-10(8)12/h1-6H2

InChI Key

MTPUNWSZJLTTLU-UHFFFAOYSA-N

Formula

C12H12

SMILES

C1Cc2c1c1c(c3c2CC3)CC1

Molecular Weight¹

156.22

CAS

60323-52-6

Other Names

• Tricyclobutabenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[153.10; 418.59]	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			-1.23610e+02
Coefficient B			1.32840e+00
Coefficient C			-1.29100e-03
Coefficient D			5.04800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.10	J/mol×K	273.00	Calculated Property
Cp,gas	207.12	J/mol×K	353.78	Calculated Property
Cp,gas	251.29	J/mol×K	434.56	Calculated Property
Cp,gas	287.19	J/mol×K	515.33	Calculated Property
Cp,gas	316.44	J/mol×K	596.11	Calculated Property
Cp,gas	340.62	J/mol×K	676.89	Calculated Property
Cp,gas	361.32	J/mol×K	757.67	Calculated Property
Cp,gas	380.16	J/mol×K	838.44	Calculated Property
Cp,gas	398.71	J/mol×K	919.22	Calculated Property
Cp,gas	418.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023643; 0.0027844]	Pa×s	[391.12; 544.48]	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			-5.46668e+00
Coefficient B			-2.27080e+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.			391.12
Temperature range, max.			544.48
η	0.0023643	Pa×s	391.12	Calculated Property
η	0.0024223	Pa×s	408.16	Calculated Property
η	0.0024769	Pa×s	425.20	Calculated Property
η	0.0025284	Pa×s	442.24	Calculated Property
η	0.0025771	Pa×s	459.28	Calculated Property
η	0.0026230	Pa×s	476.32	Calculated Property
η	0.0026666	Pa×s	493.36	Calculated Property
η	0.0027079	Pa×s	510.40	Calculated Property
η	0.0027471	Pa×s	527.44	Calculated Property
η	0.0027844	Pa×s	544.48	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclobutenobenzene.

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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