Chemical Properties of 4-Iodopentylbenzene (CAS 85017-60-3)

InChI

InChI=1S/C11H15I/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3

InChI Key

MTRMOYSZRPLAOL-UHFFFAOYSA-N

Formula

C11H15I

SMILES

CCCCCc1ccc(I)cc1

Molecular Weight¹

274.14

CAS

85017-60-3

Other Names

• 1-(4-iodophenyl)pentane
• Benzene, 1-iodo-4-pentyl-

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.21; 474.43]	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			-1.50260e+01
Coefficient B			9.49420e-01
Coefficient C			-6.20160e-04
Coefficient D			1.60200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.21	J/mol×K	273.00	Calculated Property
Cp,gas	250.33	J/mol×K	353.78	Calculated Property
Cp,gas	293.59	J/mol×K	434.56	Calculated Property
Cp,gas	331.47	J/mol×K	515.33	Calculated Property
Cp,gas	364.50	J/mol×K	596.11	Calculated Property
Cp,gas	393.17	J/mol×K	676.89	Calculated Property
Cp,gas	417.99	J/mol×K	757.67	Calculated Property
Cp,gas	439.47	J/mol×K	838.44	Calculated Property
Cp,gas	458.12	J/mol×K	919.22	Calculated Property
Cp,gas	474.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027599; 0.0002386]	Pa×s	[310.73; 566.82]	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			-1.13113e+01
Coefficient B			1.68378e+03
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.			310.73
Temperature range, max.			566.82
η	0.0027599	Pa×s	310.73	Calculated Property
η	0.0017518	Pa×s	339.18	Calculated Property
η	0.0011929	Pa×s	367.64	Calculated Property
η	0.0008585	Pa×s	396.09	Calculated Property
η	0.0006456	Pa×s	424.55	Calculated Property
η	0.0005033	Pa×s	453.00	Calculated Property
η	0.0004040	Pa×s	481.45	Calculated Property
η	0.0003324	Pa×s	509.91	Calculated Property
η	0.0002792	Pa×s	538.36	Calculated Property
η	0.0002386	Pa×s	566.82	Calculated Property

Similar Compounds

Find more compounds similar to 4-Iodopentylbenzene.

Sources

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

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