Chemical Properties of (3-Iodophenyl) methanol, n-butyl ether

InChI

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

InChI Key

HRJJHUAJCDKJJS-UHFFFAOYSA-N

Formula

C11H15IO

SMILES

CCCCOCc1cccc(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

Property	Value	Unit	Source
ΔfusH°	23.49	kJ/mol	Joback Calculated Property
logPoct/wat	3.608		Crippen Calculated Property
McVol	173.780	ml/mol	McGowan Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST

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	[216.61; 492.93]	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			1.04740e+01
Coefficient B			8.86220e-01
Coefficient C			-5.09160e-04
Coefficient D			1.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.61	J/mol×K	273.00	Calculated Property
Cp,gas	264.94	J/mol×K	353.78	Calculated Property
Cp,gas	308.09	J/mol×K	434.56	Calculated Property
Cp,gas	346.38	J/mol×K	515.33	Calculated Property
Cp,gas	380.16	J/mol×K	596.11	Calculated Property
Cp,gas	409.75	J/mol×K	676.89	Calculated Property
Cp,gas	435.49	J/mol×K	757.67	Calculated Property
Cp,gas	457.71	J/mol×K	838.44	Calculated Property
Cp,gas	476.75	J/mol×K	919.22	Calculated Property
Cp,gas	492.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019953; 0.0001978]	Pa×s	[332.96; 580.21]	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			-1.16406e+01
Coefficient B			1.80587e+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.			332.96
Temperature range, max.			580.21
η	0.0019953	Pa×s	332.96	Calculated Property
η	0.0013197	Pa×s	360.43	Calculated Property
η	0.0009255	Pa×s	387.90	Calculated Property
η	0.0006802	Pa×s	415.38	Calculated Property
η	0.0005194	Pa×s	442.85	Calculated Property
η	0.0004093	Pa×s	470.32	Calculated Property
η	0.0003312	Pa×s	497.79	Calculated Property
η	0.0002739	Pa×s	525.27	Calculated Property
η	0.0002309	Pa×s	552.74	Calculated Property
η	0.0001978	Pa×s	580.21	Calculated Property

Similar Compounds

Find more compounds similar to (3-Iodophenyl) methanol, n-butyl 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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