Chemical Properties of Cyclobutyl radical

InChI

InChI=1S/C4H7/c1-2-4-3-1/h1H,2-4H2

InChI Key

ZAEBLFKQMDEPDM-UHFFFAOYSA-N

Formula

C4H7

SMILES

[CH]1CCC1

Molecular Weight¹

55.10

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2393		Relay (1.0) Calculated Property
EA	-0.32 ± 0.10	eV	NIST
ΔfG°	83.83	kJ/mol	Joback Calculated Property
ΔfH°gas	46.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	3.83	kJ/mol	Joback Calculated Property
ΔvapH°	24.50	kJ/mol	Relay (1.0) Calculated Property
IE	[7.54; 7.66]	eV
IE	7.54 ± 0.02	eV	NIST
IE	7.66 ± 0.02	eV	NIST
log10WS	-1.46		Relay (1.0) Calculated Property
logPoct/wat	1.375		Crippen Calculated Property
McVol	54.210	ml/mol	McGowan Calculated Property
Pc	5080.25	kPa	Joback Calculated Property
Tboil	293.95	K	Relay (1.0) Calculated Property
Tc	475.85	K	Relay (1.0) Calculated Property
Tfus	117.52	K	Relay (1.0) Calculated Property
Vc	0.200	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[56.49; 191.08]	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			-7.65200e+01
Coefficient B			6.28200e-01
Coefficient C			-5.75000e-04
Coefficient D			2.14400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	56.49	J/mol×K	273.00	Calculated Property
Cp,gas	83.25	J/mol×K	353.78	Calculated Property
Cp,gas	105.48	J/mol×K	434.56	Calculated Property
Cp,gas	123.85	J/mol×K	515.33	Calculated Property
Cp,gas	139.05	J/mol×K	596.11	Calculated Property
Cp,gas	151.74	J/mol×K	676.89	Calculated Property
Cp,gas	162.61	J/mol×K	757.67	Calculated Property
Cp,gas	172.34	J/mol×K	838.44	Calculated Property
Cp,gas	181.61	J/mol×K	919.22	Calculated Property
Cp,gas	191.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001576; 0.0001953]	Pa×s	[165.63; 338.72]	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			-8.33585e+00
Coefficient B			-6.95200e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			165.63
Temperature range, max.			338.72
η	0.0001576	Pa×s	165.63	Calculated Property
η	0.0001646	Pa×s	184.86	Calculated Property
η	0.0001706	Pa×s	204.09	Calculated Property
η	0.0001756	Pa×s	223.33	Calculated Property
η	0.0001800	Pa×s	242.56	Calculated Property
η	0.0001838	Pa×s	261.79	Calculated Property
η	0.0001872	Pa×s	281.02	Calculated Property
η	0.0001902	Pa×s	300.25	Calculated Property
η	0.0001929	Pa×s	319.48	Calculated Property
η	0.0001953	Pa×s	338.72	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutyl radical.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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