Chemical Properties of (3-Iodophenyl) methanol, isopropyl ether

InChI

InChI=1S/C10H13IO/c1-8(2)12-7-9-4-3-5-10(11)6-9/h3-6,8H,7H2,1-2H3

InChI Key

OVVXNPIIRXUEEI-UHFFFAOYSA-N

Formula

C10H13IO

SMILES

CC(C)OCc1cccc(I)c1

Molecular Weight¹

276.12

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[195.08; 441.88]	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			9.70100e+00
Coefficient B			7.97140e-01
Coefficient C			-4.57960e-04
Coefficient D			9.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.08	J/mol×K	273.00	Calculated Property
Cp,gas	238.51	J/mol×K	353.78	Calculated Property
Cp,gas	277.25	J/mol×K	434.56	Calculated Property
Cp,gas	311.60	J/mol×K	515.33	Calculated Property
Cp,gas	341.85	J/mol×K	596.11	Calculated Property
Cp,gas	368.29	J/mol×K	676.89	Calculated Property
Cp,gas	391.22	J/mol×K	757.67	Calculated Property
Cp,gas	410.93	J/mol×K	838.44	Calculated Property
Cp,gas	427.72	J/mol×K	919.22	Calculated Property
Cp,gas	441.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026835; 0.0001915]	Pa×s	[306.69; 570.90]	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			-1.16252e+01
Coefficient B			1.74953e+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.			306.69
Temperature range, max.			570.90
η	0.0026835	Pa×s	306.69	Calculated Property
η	0.0016304	Pa×s	336.05	Calculated Property
η	0.0010731	Pa×s	365.40	Calculated Property
η	0.0007516	Pa×s	394.76	Calculated Property
η	0.0005531	Pa×s	424.12	Calculated Property
η	0.0004234	Pa×s	453.47	Calculated Property
η	0.0003349	Pa×s	482.83	Calculated Property
η	0.0002721	Pa×s	512.19	Calculated Property
η	0.0002261	Pa×s	541.54	Calculated Property
η	0.0001915	Pa×s	570.90	Calculated Property

Similar Compounds

Find more compounds similar to (3-Iodophenyl) methanol, isopropyl ether.

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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