Chemical Properties of Phenol, 2,4,6-triiodo- (CAS 609-23-4)

InChI

InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChI Key

VAPDZNUFNKUROY-UHFFFAOYSA-N

Formula

C6H3I3O

SMILES

Oc1c(I)cc(I)cc1I

Molecular Weight¹

471.80

CAS

609-23-4

Other Names

• 2,4,6-Triiodophenol
• 2,4,6-Trijodfenol

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔfusH°	23.56	kJ/mol	Joback Calculated Property
log10WS	-4.23		Relay (1.0) Calculated Property
logPoct/wat	3.206		Crippen Calculated Property
McVol	154.970	ml/mol	McGowan Calculated Property
Inp	[1962.00; 1962.00]
Inp	1962.00		NIST
Inp	1962.00		NIST
Inp	1962.00		NIST
Tfus	458.75	K	Relay (1.0) Calculated Property

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 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	[148.73; 254.20]	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			1.82800e+01
Coefficient B			6.47500e-01
Coefficient C			-7.00280e-04
Coefficient D			2.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.73	J/mol×K	273.00	Calculated Property
Cp,gas	172.49	J/mol×K	353.78	Calculated Property
Cp,gas	191.11	J/mol×K	434.56	Calculated Property
Cp,gas	205.50	J/mol×K	515.33	Calculated Property
Cp,gas	216.57	J/mol×K	596.11	Calculated Property
Cp,gas	225.25	J/mol×K	676.89	Calculated Property
Cp,gas	232.44	J/mol×K	757.67	Calculated Property
Cp,gas	239.05	J/mol×K	838.44	Calculated Property
Cp,gas	246.00	J/mol×K	919.22	Calculated Property
Cp,gas	254.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003621; 0.0000176]	Pa×s	[494.74; 750.78]	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			-1.67874e+01
Coefficient B			4.38534e+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.			494.74
Temperature range, max.			750.78
η	0.0003621	Pa×s	494.74	Calculated Property
η	0.0002236	Pa×s	523.19	Calculated Property
η	0.0001451	Pa×s	551.64	Calculated Property
η	0.0000983	Pa×s	580.09	Calculated Property
η	0.0000690	Pa×s	608.53	Calculated Property
η	0.0000500	Pa×s	636.98	Calculated Property
η	0.0000373	Pa×s	665.43	Calculated Property
η	0.0000284	Pa×s	693.88	Calculated Property
η	0.0000222	Pa×s	722.33	Calculated Property
η	0.0000176	Pa×s	750.78	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2,4,6-triiodo-.

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.
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