Chemical Properties of 2,3,5-Triiodobenzyl alcohol, isopropyl ether

InChI

InChI=1S/C10H11I3O/c1-6(2)14-5-7-3-8(11)4-9(12)10(7)13/h3-4,6H,5H2,1-2H3

InChI Key

OQEDESKZDRQXPB-UHFFFAOYSA-N

Formula

C10H11I3O

SMILES

CC(C)OCc1cc(I)cc(I)c1I

Molecular Weight¹

527.91

• 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	[234.34; 454.14]	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			6.16810e+01
Coefficient B			7.56140e-01
Coefficient C			-4.86680e-04
Coefficient D			1.23000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.34	J/mol×K	273.00	Calculated Property
Cp,gas	273.72	J/mol×K	353.78	Calculated Property
Cp,gas	308.46	J/mol×K	434.56	Calculated Property
Cp,gas	338.93	J/mol×K	515.33	Calculated Property
Cp,gas	365.54	J/mol×K	596.11	Calculated Property
Cp,gas	388.66	J/mol×K	676.89	Calculated Property
Cp,gas	408.70	J/mol×K	757.67	Calculated Property
Cp,gas	426.03	J/mol×K	838.44	Calculated Property
Cp,gas	441.05	J/mol×K	919.22	Calculated Property
Cp,gas	454.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009758; 0.0001179]	Pa×s	[447.85; 748.10]	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			-1.21971e+01
Coefficient B			2.35785e+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.			447.85
Temperature range, max.			748.10
η	0.0009758	Pa×s	447.85	Calculated Property
η	0.0006774	Pa×s	481.21	Calculated Property
η	0.0004930	Pa×s	514.57	Calculated Property
η	0.0003730	Pa×s	547.93	Calculated Property
η	0.0002914	Pa×s	581.30	Calculated Property
η	0.0002338	Pa×s	614.66	Calculated Property
η	0.0001919	Pa×s	648.02	Calculated Property
η	0.0001606	Pa×s	681.38	Calculated Property
η	0.0001366	Pa×s	714.74	Calculated Property
η	0.0001179	Pa×s	748.10	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,5-Triiodobenzyl alcohol, 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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