Chemical Properties of 1-Pentyl radical (CAS 2672-01-7)

InChI

InChI=1S/C5H11/c1-3-5-4-2/h1,3-5H2,2H3

InChI Key

BFKVXNPJXXJUGQ-UHFFFAOYSA-N

Formula

C5H11

SMILES

[CH2]CCCC

Molecular Weight¹

71.14

CAS

2672-01-7

• 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	0.3074		Relay (1.0) Calculated Property
ΔfG°	43.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-31.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.39	kJ/mol	Joback Calculated Property
ΔvapH°	27.03	kJ/mol	Relay (1.0) Calculated Property
IE	[7.85; 7.94]	eV
IE	7.85	eV	NIST
IE	7.94 ± 0.06	eV	NIST
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	2.011		Crippen Calculated Property
McVol	79.160	ml/mol	McGowan Calculated Property
Pc	3655.35	kPa	Joback Calculated Property
Tboil	330.36	K	Relay (1.0) Calculated Property
Tc	484.50	K	Relay (1.0) Calculated Property
Tfus	141.33	K	Relay (1.0) Calculated Property
Vc	0.311	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[106.04; 261.15]	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			-2.20660e+01
Coefficient B			5.81920e-01
Coefficient C			-4.55600e-04
Coefficient D			1.56900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	106.04	J/mol×K	273.00	Calculated Property
Cp,gas	133.73	J/mol×K	353.78	Calculated Property
Cp,gas	157.65	J/mol×K	434.56	Calculated Property
Cp,gas	178.30	J/mol×K	515.33	Calculated Property
Cp,gas	196.16	J/mol×K	596.11	Calculated Property
Cp,gas	211.74	J/mol×K	676.89	Calculated Property
Cp,gas	225.54	J/mol×K	757.67	Calculated Property
Cp,gas	238.04	J/mol×K	838.44	Calculated Property
Cp,gas	249.75	J/mol×K	919.22	Calculated Property
Cp,gas	261.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005878; 0.0002109]	Pa×s	[162.48; 331.03]	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			-9.45231e+00
Coefficient B			3.27110e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			162.48
Temperature range, max.			331.03
η	0.0005878	Pa×s	162.48	Calculated Property
η	0.0004774	Pa×s	181.21	Calculated Property
η	0.0004031	Pa×s	199.93	Calculated Property
η	0.0003504	Pa×s	218.66	Calculated Property
η	0.0003114	Pa×s	237.39	Calculated Property
η	0.0002816	Pa×s	256.12	Calculated Property
η	0.0002581	Pa×s	274.84	Calculated Property
η	0.0002392	Pa×s	293.57	Calculated Property
η	0.0002238	Pa×s	312.30	Calculated Property
η	0.0002109	Pa×s	331.03	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentyl radical.

Sources

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

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