Chemical Properties of 3-Iodo-4-methoxytoluene

InChI

InChI=1S/C8H9IO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3

InChI Key

OASGOCIPNQWXLR-UHFFFAOYSA-N

Formula

C8H9IO

SMILES

COc1ccc(C)cc1I

Molecular Weight¹

248.06

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.52; 335.12]	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			2.75000e+01
Coefficient B			5.41740e-01
Coefficient C			-2.78920e-04
Coefficient D			4.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.52	J/mol×K	273.00	Calculated Property
Cp,gas	186.23	J/mol×K	353.78	Calculated Property
Cp,gas	213.92	J/mol×K	434.56	Calculated Property
Cp,gas	238.74	J/mol×K	515.33	Calculated Property
Cp,gas	260.81	J/mol×K	596.11	Calculated Property
Cp,gas	280.30	J/mol×K	676.89	Calculated Property
Cp,gas	297.33	J/mol×K	757.67	Calculated Property
Cp,gas	312.05	J/mol×K	838.44	Calculated Property
Cp,gas	324.60	J/mol×K	919.22	Calculated Property
Cp,gas	335.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016901; 0.0002219]	Pa×s	[311.67; 546.64]	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			-1.11063e+01
Coefficient B			1.47213e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			311.67
Temperature range, max.			546.64
η	0.0016901	Pa×s	311.67	Calculated Property
η	0.0011732	Pa×s	337.78	Calculated Property
η	0.0008582	Pa×s	363.89	Calculated Property
η	0.0006546	Pa×s	389.99	Calculated Property
η	0.0005165	Pa×s	416.10	Calculated Property
η	0.0004192	Pa×s	442.21	Calculated Property
η	0.0003482	Pa×s	468.32	Calculated Property
η	0.0002949	Pa×s	494.42	Calculated Property
η	0.0002540	Pa×s	520.53	Calculated Property
η	0.0002219	Pa×s	546.64	Calculated Property

Similar Compounds

Find more compounds similar to 3-Iodo-4-methoxytoluene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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