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

InChI

InChI=1S/C12H15I3O/c1-2-3-4-5-16-8-9-6-10(13)7-11(14)12(9)15/h6-7H,2-5,8H2,1H3

InChI Key

NCVFDQAOZDYPAS-UHFFFAOYSA-N

Formula

C12H15I3O

SMILES

CCCCCOCc1cc(I)cc(I)c1I

Molecular Weight¹

555.96

• 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°	34.12	kJ/mol	Joback Calculated Property
logPoct/wat	5.207		Crippen Calculated Property
McVol	239.510	ml/mol	McGowan Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		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	[277.08; 556.78]	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			6.15450e+01
Coefficient B			9.40220e-01
Coefficient C			-5.92280e-04
Coefficient D			1.47300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.08	J/mol×K	273.00	Calculated Property
Cp,gas	326.57	J/mol×K	353.78	Calculated Property
Cp,gas	370.37	J/mol×K	434.56	Calculated Property
Cp,gas	408.94	J/mol×K	515.33	Calculated Property
Cp,gas	442.76	J/mol×K	596.11	Calculated Property
Cp,gas	472.28	J/mol×K	676.89	Calculated Property
Cp,gas	497.98	J/mol×K	757.67	Calculated Property
Cp,gas	520.32	J/mol×K	838.44	Calculated Property
Cp,gas	539.77	J/mol×K	919.22	Calculated Property
Cp,gas	556.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007162; 0.0001081]	Pa×s	[485.39; 765.58]	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			-1.24093e+01
Coefficient B			2.50835e+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.			485.39
Temperature range, max.			765.58
η	0.0007162	Pa×s	485.39	Calculated Property
η	0.0005245	Pa×s	516.52	Calculated Property
η	0.0003980	Pa×s	547.65	Calculated Property
η	0.0003111	Pa×s	578.79	Calculated Property
η	0.0002493	Pa×s	609.92	Calculated Property
η	0.0002042	Pa×s	641.05	Calculated Property
η	0.0001704	Pa×s	672.18	Calculated Property
η	0.0001444	Pa×s	703.31	Calculated Property
η	0.0001242	Pa×s	734.45	Calculated Property
η	0.0001081	Pa×s	765.58	Calculated Property

Similar Compounds

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