Chemical Properties of Cyclobutane, 1,2-bis(methylene)- (CAS 14296-80-1)

InChI

InChI=1S/C6H8/c1-5-3-4-6(5)2/h1-4H2

InChI Key

QOFLWDYWJZBWHM-UHFFFAOYSA-N

Formula

C6H8

SMILES

C=C1CCC1=C

Molecular Weight¹

80.13

CAS

14296-80-1

Other Names

• Cyclobutane, 1,2-dimethylene-
• 1,2-Dimethylenecyclobutane
• 1,2-bis(Methylene)cyclobutane

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	204.00	kJ/mol	NIST
ΔfusH°	3.94	kJ/mol	Joback Calculated Property
ΔvapH°	33.19	kJ/mol	Relay (1.0) Calculated Property
IE	[8.66; 8.77]	eV
IE	8.66	eV	NIST
IE	8.77	eV	NIST
IE	8.66 ± 0.03	eV	NIST
logPoct/wat	1.893		Crippen Calculated Property
McVol	75.940	ml/mol	McGowan Calculated Property
Tboil	[346.00; 346.00]	K
Tboil	346.00	K	NIST
Tboil	346.00 ± 4.00	K	NIST
Tfus	230.16	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.18; 239.91]	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			-1.92900e+01
Coefficient B			5.06600e-01
Coefficient C			-3.47000e-04
Coefficient D			9.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.18	J/mol×K	273.00	Calculated Property
Cp,gas	120.91	J/mol×K	353.78	Calculated Property
Cp,gas	143.50	J/mol×K	434.56	Calculated Property
Cp,gas	163.26	J/mol×K	515.33	Calculated Property
Cp,gas	180.49	J/mol×K	596.11	Calculated Property
Cp,gas	195.52	J/mol×K	676.89	Calculated Property
Cp,gas	208.67	J/mol×K	757.67	Calculated Property
Cp,gas	220.23	J/mol×K	838.44	Calculated Property
Cp,gas	230.54	J/mol×K	919.22	Calculated Property
Cp,gas	239.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007987; 0.0002465]	Pa×s	[203.40; 379.25]	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			-9.66835e+00
Coefficient B			5.15780e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			203.40
Temperature range, max.			379.25
η	0.0007987	Pa×s	203.40	Calculated Property
η	0.0006395	Pa×s	222.94	Calculated Property
η	0.0005307	Pa×s	242.48	Calculated Property
η	0.0004529	Pa×s	262.02	Calculated Property
η	0.0003951	Pa×s	281.55	Calculated Property
η	0.0003508	Pa×s	301.09	Calculated Property
η	0.0003160	Pa×s	320.63	Calculated Property
η	0.0002881	Pa×s	340.17	Calculated Property
η	0.0002653	Pa×s	359.71	Calculated Property
η	0.0002465	Pa×s	379.25	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane, 1,2-bis(methylene)-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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