Chemical Properties of Hydrocinnamic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo- (CAS 51-26-3)

InChI

InChI=1S/C15H11I3O4/c16-10-7-9(2-3-13(10)19)22-15-11(17)5-8(6-12(15)18)1-4-14(20)21/h2-3,5-7,19H,1,4H2,(H,20,21)

InChI Key

VRORTNGXAKZJML-UHFFFAOYSA-N

Formula

C15H11I3O4

SMILES

O=C(O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1

Molecular Weight¹

635.96

CAS

51-26-3

• 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).
• 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	[316.52; 623.19]	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			3.48920e+01
Coefficient B			1.29220e+00
Coefficient C			-1.04860e-03
Coefficient D			3.44700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.52	J/mol×K	273.00	Calculated Property
Cp,gas	376.06	J/mol×K	353.78	Calculated Property
Cp,gas	426.69	J/mol×K	434.56	Calculated Property
Cp,gas	469.51	J/mol×K	515.33	Calculated Property
Cp,gas	505.59	J/mol×K	596.11	Calculated Property
Cp,gas	536.03	J/mol×K	676.89	Calculated Property
Cp,gas	561.92	J/mol×K	757.67	Calculated Property
Cp,gas	584.35	J/mol×K	838.44	Calculated Property
Cp,gas	604.41	J/mol×K	919.22	Calculated Property
Cp,gas	623.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016217; 0.0000018]	Pa×s	[473.15; 1013.54]	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			-1.92209e+01
Coefficient B			6.05471e+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.			473.15
Temperature range, max.			1013.54
η	0.0016217	Pa×s	473.15	Calculated Property
η	0.0003838	Pa×s	533.19	Calculated Property
η	0.0001216	Pa×s	593.24	Calculated Property
η	0.0000476	Pa×s	653.28	Calculated Property
η	0.0000218	Pa×s	713.32	Calculated Property
η	0.0000113	Pa×s	773.36	Calculated Property
η	0.0000064	Pa×s	833.41	Calculated Property
η	0.0000039	Pa×s	893.45	Calculated Property
η	0.0000026	Pa×s	953.49	Calculated Property
η	0.0000018	Pa×s	1013.54	Calculated Property

Similar Compounds

Find more compounds similar to Hydrocinnamic acid, 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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