Chemical Properties of 2-Heptyl radical (CAS 3474-30-4)

InChI

InChI=1S/C7H15/c1-3-5-7-6-4-2/h3H,4-7H2,1-2H3

InChI Key

DOEYHYKYGYGBRH-UHFFFAOYSA-N

Formula

C7H15

SMILES

C[CH]CCCCC

Molecular Weight¹

99.19

CAS

3474-30-4

• 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	0.3692		Relay (1.0) Calculated Property
ΔfG°	58.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-105.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.04	kJ/mol	Joback Calculated Property
ΔvapH°	36.49	kJ/mol	Relay (1.0) Calculated Property
IE	[6.95; 7.35]	eV
IE	6.95	eV	NIST
IE	7.35 ± 0.06	eV	NIST
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	2.791		Crippen Calculated Property
McVol	107.340	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Tboil	379.32	K	Relay (1.0) Calculated Property
Tc	546.37	K	Relay (1.0) Calculated Property
Tfus	168.96	K	Relay (1.0) Calculated Property
Vc	0.427	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.15; 364.87]	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			-2.55660e+01
Coefficient B			7.77840e-01
Coefficient C			-5.67600e-04
Coefficient D			1.80200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.15	J/mol×K	273.00	Calculated Property
Cp,gas	186.56	J/mol×K	353.78	Calculated Property
Cp,gas	220.05	J/mol×K	434.56	Calculated Property
Cp,gas	249.21	J/mol×K	515.33	Calculated Property
Cp,gas	274.59	J/mol×K	596.11	Calculated Property
Cp,gas	296.77	J/mol×K	676.89	Calculated Property
Cp,gas	316.32	J/mol×K	757.67	Calculated Property
Cp,gas	333.81	J/mol×K	838.44	Calculated Property
Cp,gas	349.80	J/mol×K	919.22	Calculated Property
Cp,gas	364.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016651; 0.0002913]	Pa×s	[170.02; 366.18]	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			-9.65189e+00
Coefficient B			5.53250e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			170.02
Temperature range, max.			366.18
η	0.0016651	Pa×s	170.02	Calculated Property
η	0.0011504	Pa×s	191.82	Calculated Property
η	0.0008571	Pa×s	213.61	Calculated Property
η	0.0006744	Pa×s	235.41	Calculated Property
η	0.0005526	Pa×s	257.20	Calculated Property
η	0.0004671	Pa×s	279.00	Calculated Property
η	0.0004046	Pa×s	300.79	Calculated Property
η	0.0003573	Pa×s	322.59	Calculated Property
η	0.0003206	Pa×s	344.39	Calculated Property
η	0.0002913	Pa×s	366.18	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptyl radical.

Sources

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

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