Chemical Properties of 1-Butyl radical (CAS 2492-36-6)

InChI

InChI=1S/C4H9/c1-3-4-2/h1,3-4H2,2H3

InChI Key

WPWHSFAFEBZWBB-UHFFFAOYSA-N

Formula

C4H9

SMILES

[CH2]CCC

Molecular Weight¹

57.11

CAS

2492-36-6

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.2594		Relay (1.0) Calculated Property
ΔfG°	35.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-3.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.80	kJ/mol	Joback Calculated Property
ΔvapH°	22.55	kJ/mol	Relay (1.0) Calculated Property
IE	[8.01; 8.50]	eV
IE	8.02 ± 0.04	eV	NIST
IE	8.01 ± 0.05	eV	NIST
IE	8.01 ± 0.05	eV	NIST
IE	8.50 ± 0.04	eV	NIST
log10WS	-2.31		Relay (1.0) Calculated Property
logPoct/wat	1.621		Crippen Calculated Property
McVol	65.070	ml/mol	McGowan Calculated Property
Pc	4119.70	kPa	Joback Calculated Property
Tboil	289.61	K	Relay (1.0) Calculated Property
Tc	438.03	K	Relay (1.0) Calculated Property
Tfus	118.55	K	Relay (1.0) Calculated Property
Vc	0.254	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[84.82; 209.56]	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			-2.11570e+01
Coefficient B			4.86920e-01
Coefficient C			-4.01200e-04
Coefficient D			1.45000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	84.82	J/mol×K	273.00	Calculated Property
Cp,gas	107.31	J/mol×K	353.78	Calculated Property
Cp,gas	126.57	J/mol×K	434.56	Calculated Property
Cp,gas	143.07	J/mol×K	515.33	Calculated Property
Cp,gas	157.25	J/mol×K	596.11	Calculated Property
Cp,gas	169.58	J/mol×K	676.89	Calculated Property
Cp,gas	180.52	J/mol×K	757.67	Calculated Property
Cp,gas	190.52	J/mol×K	838.44	Calculated Property
Cp,gas	200.05	J/mol×K	919.22	Calculated Property
Cp,gas	209.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003589; 0.0001615]	Pa×s	[151.21; 314.06]	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			-9.47292e+00
Coefficient B			2.32950e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			151.21
Temperature range, max.			314.06
η	0.0003589	Pa×s	151.21	Calculated Property
η	0.0003045	Pa×s	169.30	Calculated Property
η	0.0002666	Pa×s	187.40	Calculated Property
η	0.0002389	Pa×s	205.49	Calculated Property
η	0.0002180	Pa×s	223.59	Calculated Property
η	0.0002016	Pa×s	241.68	Calculated Property
η	0.0001885	Pa×s	259.78	Calculated Property
η	0.0001778	Pa×s	277.87	Calculated Property
η	0.0001690	Pa×s	295.97	Calculated Property
η	0.0001615	Pa×s	314.06	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butyl radical.

Sources

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

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