Chemical Properties of (3-Iodophenyl) methanol, 1-methylpropyl ether

InChI

InChI=1S/C11H15IO/c1-3-9(2)13-8-10-5-4-6-11(12)7-10/h4-7,9H,3,8H2,1-2H3

InChI Key

FOFGDJZWEFFXCG-UHFFFAOYSA-N

Formula

C11H15IO

SMILES

CCC(C)OCc1cccc(I)c1

Molecular Weight¹

290.14

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[216.29; 493.47]	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			8.79200e+00
Coefficient B			8.92140e-01
Coefficient C			-5.12360e-04
Coefficient D			1.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.29	J/mol×K	273.00	Calculated Property
Cp,gas	264.93	J/mol×K	353.78	Calculated Property
Cp,gas	308.33	J/mol×K	434.56	Calculated Property
Cp,gas	346.83	J/mol×K	515.33	Calculated Property
Cp,gas	380.76	J/mol×K	596.11	Calculated Property
Cp,gas	410.45	J/mol×K	676.89	Calculated Property
Cp,gas	436.24	J/mol×K	757.67	Calculated Property
Cp,gas	458.45	J/mol×K	838.44	Calculated Property
Cp,gas	477.42	J/mol×K	919.22	Calculated Property
Cp,gas	493.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025386; 0.0001814]	Pa×s	[317.96; 583.46]	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			-1.17746e+01
Coefficient B			1.84369e+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.			317.96
Temperature range, max.			583.46
η	0.0025386	Pa×s	317.96	Calculated Property
η	0.0015517	Pa×s	347.46	Calculated Property
η	0.0010244	Pa×s	376.96	Calculated Property
η	0.0007183	Pa×s	406.46	Calculated Property
η	0.0005284	Pa×s	435.96	Calculated Property
η	0.0004042	Pa×s	465.46	Calculated Property
η	0.0003192	Pa×s	494.96	Calculated Property
η	0.0002589	Pa×s	524.46	Calculated Property
η	0.0002147	Pa×s	553.96	Calculated Property
η	0.0001814	Pa×s	583.46	Calculated Property

Similar Compounds

Find more compounds similar to (3-Iodophenyl) methanol, 1-methylpropyl 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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