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

InChI

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

InChI Key

KGLPPTCGGOENFQ-UHFFFAOYSA-N

Formula

C11H15IO

SMILES

CC(C)(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.
• 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

Property	Value	Unit	Source
ΔfusH°	16.08	kJ/mol	Joback Calculated Property
logPoct/wat	3.606		Crippen Calculated Property
McVol	173.780	ml/mol	McGowan Calculated Property
Inp	[1577.00; 1577.00]
Inp	1577.00		NIST
Inp	1577.00		NIST
Tboil	545.92	K	Relay (1.0) Calculated Property
Tfus	265.46	K	Relay (1.0) Calculated Property

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	[215.15; 494.40]	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			-1.39990e+01
Coefficient B			1.01206e+00
Coefficient C			-6.80960e-04
Coefficient D			1.77300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.15	J/mol×K	273.00	Calculated Property
Cp,gas	266.67	J/mol×K	353.78	Calculated Property
Cp,gas	311.76	J/mol×K	434.56	Calculated Property
Cp,gas	350.97	J/mol×K	515.33	Calculated Property
Cp,gas	384.88	J/mol×K	596.11	Calculated Property
Cp,gas	414.04	J/mol×K	676.89	Calculated Property
Cp,gas	439.01	J/mol×K	757.67	Calculated Property
Cp,gas	460.35	J/mol×K	838.44	Calculated Property
Cp,gas	478.63	J/mol×K	919.22	Calculated Property
Cp,gas	494.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023046; 0.0001671]	Pa×s	[335.38; 588.40]	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			-1.21746e+01
Coefficient B			2.04641e+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.			335.38
Temperature range, max.			588.40
η	0.0023046	Pa×s	335.38	Calculated Property
η	0.0014376	Pa×s	363.49	Calculated Property
η	0.0009596	Pa×s	391.61	Calculated Property
η	0.0006762	Pa×s	419.72	Calculated Property
η	0.0004979	Pa×s	447.83	Calculated Property
η	0.0003801	Pa×s	475.95	Calculated Property
η	0.0002991	Pa×s	504.06	Calculated Property
η	0.0002414	Pa×s	532.18	Calculated Property
η	0.0001990	Pa×s	560.29	Calculated Property
η	0.0001671	Pa×s	588.40	Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.