Chemical Properties of Benzene, (3-iodopropyl)- (CAS 4119-41-9)

InChI

InChI=1S/C9H11I/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChI Key

RGCKJSPKMTWLLX-UHFFFAOYSA-N

Formula

C9H11I

SMILES

ICCCc1ccccc1

Molecular Weight¹

246.09

CAS

4119-41-9

Other Names

• (3-Iodopropyl)benzene
• 1-Iodo-3-phenylpropane
• 3-Phenylpropyl iodide

• 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	[156.23; 374.29]	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			-2.75070e+01
Coefficient B			8.18900e-01
Coefficient C			-5.78400e-04
Coefficient D			1.61300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.23	J/mol×K	273.00	Calculated Property
Cp,gas	196.95	J/mol×K	353.78	Calculated Property
Cp,gas	232.36	J/mol×K	434.56	Calculated Property
Cp,gas	262.97	J/mol×K	515.33	Calculated Property
Cp,gas	289.28	J/mol×K	596.11	Calculated Property
Cp,gas	311.81	J/mol×K	676.89	Calculated Property
Cp,gas	331.07	J/mol×K	757.67	Calculated Property
Cp,gas	347.56	J/mol×K	838.44	Calculated Property
Cp,gas	361.80	J/mol×K	919.22	Calculated Property
Cp,gas	374.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040683; 0.0002649]	Pa×s	[275.67; 537.21]	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			-1.11153e+01
Coefficient B			1.54672e+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.			275.67
Temperature range, max.			537.21
η	0.0040683	Pa×s	275.67	Calculated Property
η	0.0023825	Pa×s	304.73	Calculated Property
η	0.0015315	Pa×s	333.79	Calculated Property
η	0.0010567	Pa×s	362.85	Calculated Property
η	0.0007703	Pa×s	391.91	Calculated Property
η	0.0005866	Pa×s	420.97	Calculated Property
η	0.0004627	Pa×s	450.03	Calculated Property
η	0.0003756	Pa×s	479.09	Calculated Property
η	0.0003123	Pa×s	508.15	Calculated Property
η	0.0002649	Pa×s	537.21	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (3-iodopropyl)-.

Sources

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

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