Chemical Properties of Alanine, (3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)- (CAS 534-51-0)

InChI

InChI=1S/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)

InChI Key

ZHSOTLOTTDYIIK-UHFFFAOYSA-N

Formula

C15H13I2NO4

SMILES

NC(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O

Molecular Weight¹

525.08

CAS

534-51-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.55; 765.02]	J/mol×K	[1118.02; 1409.92]
Cp,gas	681.55	J/mol×K	1118.02	Joback Calculated Property
Cp,gas	693.38	J/mol×K	1166.67	Joback Calculated Property
Cp,gas	705.73	J/mol×K	1215.32	Joback Calculated Property
Cp,gas	718.83	J/mol×K	1263.97	Joback Calculated Property
Cp,gas	732.93	J/mol×K	1312.62	Joback Calculated Property
Cp,gas	748.24	J/mol×K	1361.27	Joback Calculated Property
Cp,gas	765.02	J/mol×K	1409.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alanine, (3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-.

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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