Chemical Properties of Bicyclo[1.1.0]but-1(3)-ene (CAS 58208-49-4)

InChI

InChI=1S/C4H4/c1-3-2-4(1)3/h1-2H2

InChI Key

JTVNFJINIGKHAV-UHFFFAOYSA-N

Formula

C4H4

SMILES

C1C2=C1C2

Molecular Weight¹

52.07

CAS

58208-49-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	[0.35; 0.35]	eV
EA	0.35 ± 0.17	eV	NIST
EA	0.35 ± 0.17	eV	NIST
ΔfH°gas	544.00 ± 42.00	kJ/mol	NIST
ΔfusH°	4.89	kJ/mol	Joback Calculated Property
logPoct/wat	1.090		Crippen Calculated Property
McVol	41.200	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[47.33; 130.91]	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			-6.64900e+01
Coefficient B			5.82800e-01
Coefficient C			-6.91000e-04
Coefficient D			3.05600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	47.33	J/mol×K	273.00	Calculated Property
Cp,gas	66.74	J/mol×K	353.78	Calculated Property
Cp,gas	81.36	J/mol×K	434.56	Calculated Property
Cp,gas	92.16	J/mol×K	515.33	Calculated Property
Cp,gas	100.11	J/mol×K	596.11	Calculated Property
Cp,gas	106.18	J/mol×K	676.89	Calculated Property
Cp,gas	111.32	J/mol×K	757.67	Calculated Property
Cp,gas	116.52	J/mol×K	838.44	Calculated Property
Cp,gas	122.72	J/mol×K	919.22	Calculated Property
Cp,gas	130.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000954; 0.0002305]	Pa×s	[212.04; 350.28]	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			-7.02130e+00
Coefficient B			-4.74240e+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.			212.04
Temperature range, max.			350.28
η	0.0000954	Pa×s	212.04	Calculated Property
η	0.0001109	Pa×s	227.40	Calculated Property
η	0.0001266	Pa×s	242.76	Calculated Property
η	0.0001422	Pa×s	258.12	Calculated Property
η	0.0001576	Pa×s	273.48	Calculated Property
η	0.0001728	Pa×s	288.84	Calculated Property
η	0.0001878	Pa×s	304.20	Calculated Property
η	0.0002024	Pa×s	319.56	Calculated Property
η	0.0002166	Pa×s	334.92	Calculated Property
η	0.0002305	Pa×s	350.28	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[1.1.0]but-1(3)-ene.

Sources

• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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