Chemical Properties of 4-Benzyloxyiodobenzene (CAS 19578-68-8)

InChI

InChI=1S/C13H11IO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2

InChI Key

MPWFGAWFTAZWKZ-UHFFFAOYSA-N

Formula

C13H11IO

SMILES

Ic1ccc(OCc2ccccc2)cc1

Molecular Weight¹

310.13

CAS

19578-68-8

• 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	[201.78; 477.59]	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			-2.52490e+01
Coefficient B			9.97300e-01
Coefficient C			-6.49160e-04
Coefficient D			1.54700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.78	J/mol×K	273.00	Calculated Property
Cp,gas	253.18	J/mol×K	353.78	Calculated Property
Cp,gas	298.24	J/mol×K	434.56	Calculated Property
Cp,gas	337.47	J/mol×K	515.33	Calculated Property
Cp,gas	371.34	J/mol×K	596.11	Calculated Property
Cp,gas	400.36	J/mol×K	676.89	Calculated Property
Cp,gas	425.00	J/mol×K	757.67	Calculated Property
Cp,gas	445.76	J/mol×K	838.44	Calculated Property
Cp,gas	463.13	J/mol×K	919.22	Calculated Property
Cp,gas	477.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0030090; 0.0001536]	Pa×s	[335.15; 659.37]	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			-1.18560e+01
Coefficient B			2.02761e+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.			335.15
Temperature range, max.			659.37
η	0.0030090	Pa×s	335.15	Calculated Property
η	0.0016727	Pa×s	371.17	Calculated Property
η	0.0010317	Pa×s	407.20	Calculated Property
η	0.0006883	Pa×s	443.22	Calculated Property
η	0.0004880	Pa×s	479.25	Calculated Property
η	0.0003631	Pa×s	515.27	Calculated Property
η	0.0002807	Pa×s	551.30	Calculated Property
η	0.0002240	Pa×s	587.32	Calculated Property
η	0.0001835	Pa×s	623.35	Calculated Property
η	0.0001536	Pa×s	659.37	Calculated Property

Similar Compounds

Find more compounds similar to 4-Benzyloxyiodobenzene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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