Chemical Properties of 2,3,5-Triiodobenzyl alcohol, n-butyl ether

InChI

InChI=1S/C11H13I3O/c1-2-3-4-15-7-8-5-9(12)6-10(13)11(8)14/h5-6H,2-4,7H2,1H3

InChI Key

YZCUYJDABIDFNK-UHFFFAOYSA-N

Formula

C11H13I3O

SMILES

CCCCOCc1cc(I)cc(I)c1I

Molecular Weight¹

541.93

• 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°	31.53	kJ/mol	Joback Calculated Property
logPoct/wat	4.817		Crippen Calculated Property
McVol	225.420	ml/mol	McGowan Calculated Property
Inp	[2508.00; 2508.00]
Inp	2508.00		NIST
Inp	2508.00		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	[255.87; 505.19]	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			6.24540e+01
Coefficient B			8.45220e-01
Coefficient C			-5.37880e-04
Coefficient D			1.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.87	J/mol×K	273.00	Calculated Property
Cp,gas	300.15	J/mol×K	353.78	Calculated Property
Cp,gas	339.29	J/mol×K	434.56	Calculated Property
Cp,gas	373.71	J/mol×K	515.33	Calculated Property
Cp,gas	403.85	J/mol×K	596.11	Calculated Property
Cp,gas	430.12	J/mol×K	676.89	Calculated Property
Cp,gas	452.97	J/mol×K	757.67	Calculated Property
Cp,gas	472.81	J/mol×K	838.44	Calculated Property
Cp,gas	490.07	J/mol×K	919.22	Calculated Property
Cp,gas	505.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007897; 0.0001190]	Pa×s	[474.12; 754.55]	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			-1.22359e+01
Coefficient B			2.41419e+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.			474.12
Temperature range, max.			754.55
η	0.0007897	Pa×s	474.12	Calculated Property
η	0.0005769	Pa×s	505.28	Calculated Property
η	0.0004371	Pa×s	536.44	Calculated Property
η	0.0003414	Pa×s	567.60	Calculated Property
η	0.0002736	Pa×s	598.76	Calculated Property
η	0.0002241	Pa×s	629.92	Calculated Property
η	0.0001871	Pa×s	661.07	Calculated Property
η	0.0001587	Pa×s	692.23	Calculated Property
η	0.0001366	Pa×s	723.39	Calculated Property
η	0.0001190	Pa×s	754.55	Calculated Property

Similar Compounds

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