Chemical Properties of Bicyclobutylidene (CAS 6708-14-1)

InChI

InChI=1S/C8H12/c1-3-7(4-1)8-5-2-6-8/h1-6H2

InChI Key

ANQVAFUCYRTKOQ-UHFFFAOYSA-N

Formula

C8H12

SMILES

C1CC(=C2CCC2)C1

Molecular Weight¹

108.18

CAS

6708-14-1

Other Names

• «delta»-1,1'-Bicyclobutyl
• Cyclobutane, cyclobutylidene-
• Cyclobutylidenecyclobutane
• Dicyclobutylidene
• Bicyclobutylidine

• 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_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.62; 344.39]	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			-9.06100e+01
Coefficient B			9.24400e-01
Coefficient C			-7.23000e-04
Coefficient D			2.33600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.62	J/mol×K	273.00	Calculated Property
Cp,gas	156.28	J/mol×K	353.78	Calculated Property
Cp,gas	193.73	J/mol×K	434.56	Calculated Property
Cp,gas	225.73	J/mol×K	515.33	Calculated Property
Cp,gas	253.00	J/mol×K	596.11	Calculated Property
Cp,gas	276.29	J/mol×K	676.89	Calculated Property
Cp,gas	296.34	J/mol×K	757.67	Calculated Property
Cp,gas	313.87	J/mol×K	838.44	Calculated Property
Cp,gas	329.65	J/mol×K	919.22	Calculated Property
Cp,gas	344.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017086; 0.0004124]	Pa×s	[243.04; 447.65]	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			-9.48217e+00
Coefficient B			7.55880e+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.			243.04
Temperature range, max.			447.65
η	0.0017086	Pa×s	243.04	Calculated Property
η	0.0013095	Pa×s	265.77	Calculated Property
η	0.0010466	Pa×s	288.51	Calculated Property
η	0.0008643	Pa×s	311.24	Calculated Property
η	0.0007326	Pa×s	333.98	Calculated Property
η	0.0006342	Pa×s	356.71	Calculated Property
η	0.0005586	Pa×s	379.44	Calculated Property
η	0.0004991	Pa×s	402.18	Calculated Property
η	0.0004514	Pa×s	424.91	Calculated Property
η	0.0004124	Pa×s	447.65	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclobutylidene.

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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