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

InChI

InChI=1S/C12H17IO/c1-10(2)6-7-14-9-11-4-3-5-12(13)8-11/h3-5,8,10H,6-7,9H2,1-2H3

InChI Key

UUCSIXSLIAMCNH-UHFFFAOYSA-N

Formula

C12H17IO

SMILES

CC(C)CCOCc1cccc(I)c1

Molecular Weight¹

304.17

• 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°	22.56	kJ/mol	Joback Calculated Property
logPoct/wat	3.854		Crippen Calculated Property
McVol	187.870	ml/mol	McGowan Calculated Property
Inp	[1717.00; 1717.00]
Inp	1717.00		NIST
Inp	1717.00		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	[237.51; 545.06]	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			7.88300e+00
Coefficient B			9.87140e-01
Coefficient C			-5.66760e-04
Coefficient D			1.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.51	J/mol×K	273.00	Calculated Property
Cp,gas	291.35	J/mol×K	353.78	Calculated Property
Cp,gas	339.41	J/mol×K	434.56	Calculated Property
Cp,gas	382.06	J/mol×K	515.33	Calculated Property
Cp,gas	419.67	J/mol×K	596.11	Calculated Property
Cp,gas	452.61	J/mol×K	676.89	Calculated Property
Cp,gas	481.25	J/mol×K	757.67	Calculated Property
Cp,gas	505.96	J/mol×K	838.44	Calculated Property
Cp,gas	527.11	J/mol×K	919.22	Calculated Property
Cp,gas	545.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023806; 0.0001706]	Pa×s	[329.23; 596.18]	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			-1.19264e+01
Coefficient B			1.93785e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			329.23
Temperature range, max.			596.18
η	0.0023806	Pa×s	329.23	Calculated Property
η	0.0014636	Pa×s	358.89	Calculated Property
η	0.0009692	Pa×s	388.55	Calculated Property
η	0.0006804	Pa×s	418.21	Calculated Property
η	0.0005006	Pa×s	447.87	Calculated Property
η	0.0003827	Pa×s	477.54	Calculated Property
η	0.0003018	Pa×s	507.20	Calculated Property
η	0.0002444	Pa×s	536.86	Calculated Property
η	0.0002023	Pa×s	566.52	Calculated Property
η	0.0001706	Pa×s	596.18	Calculated Property

Similar Compounds

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