Chemical Properties of 2,3,5-Triiodobenzyl alcohol (CAS 31075-53-3)

InChI

InChI=1S/C7H5I3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2,11H,3H2

InChI Key

KFZNKUWVRXKLJP-UHFFFAOYSA-N

Formula

C7H5I3O

SMILES

OCc1cc(I)cc(I)c1I

Molecular Weight¹

485.83

CAS

31075-53-3

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[168.11; 299.00]	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			4.58810e+01
Coefficient B			5.62400e-01
Coefficient C			-4.61680e-04
Coefficient D			1.52400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.11	J/mol×K	273.00	Calculated Property
Cp,gas	193.81	J/mol×K	353.78	Calculated Property
Cp,gas	215.60	J/mol×K	434.56	Calculated Property
Cp,gas	233.95	J/mol×K	515.33	Calculated Property
Cp,gas	249.36	J/mol×K	596.11	Calculated Property
Cp,gas	262.30	J/mol×K	676.89	Calculated Property
Cp,gas	273.25	J/mol×K	757.67	Calculated Property
Cp,gas	282.69	J/mol×K	838.44	Calculated Property
Cp,gas	291.12	J/mol×K	919.22	Calculated Property
Cp,gas	299.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009811; 0.0000555]	Pa×s	[467.63; 741.74]	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			-1.47001e+01
Coefficient B			3.63505e+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.			467.63
Temperature range, max.			741.74
η	0.0009811	Pa×s	467.63	Calculated Property
η	0.0006100	Pa×s	498.09	Calculated Property
η	0.0004006	Pa×s	528.54	Calculated Property
η	0.0002754	Pa×s	559.00	Calculated Property
η	0.0001968	Pa×s	589.45	Calculated Property
η	0.0001454	Pa×s	619.91	Calculated Property
η	0.0001105	Pa×s	650.37	Calculated Property
η	0.0000860	Pa×s	680.82	Calculated Property
η	0.0000684	Pa×s	711.28	Calculated Property
η	0.0000555	Pa×s	741.74	Calculated Property

Similar Compounds

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

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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