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

Alanine, (3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-

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
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Physical Properties

Property Value Unit Source
ΔfusH° 49.12 kJ/mol Joback Calculated Property
IE 7.87 eV Relay (1.0) Calculated Property
log10WS -4.29 Relay (1.0) Calculated Property
logPoct/wat 3.348 Crippen Calculated Property
McVol 255.490 ml/mol McGowan Calculated Property
Tfus 541.13 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 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 [316.96; 653.57] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.37110e+01
Coefficient B1.38050e+00
Coefficient C-1.08084e-03
Coefficient D3.40200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 316.96 J/mol×K 273.00 Calculated Property
Cp,gas 381.89 J/mol×K 353.78 Calculated Property
Cp,gas 437.43 J/mol×K 434.56 Calculated Property
Cp,gas 484.65 J/mol×K 515.33 Calculated Property
Cp,gas 524.63 J/mol×K 596.11 Calculated Property
Cp,gas 558.45 J/mol×K 676.89 Calculated Property
Cp,gas 587.17 J/mol×K 757.67 Calculated Property
Cp,gas 611.88 J/mol×K 838.44 Calculated Property
Cp,gas 633.66 J/mol×K 919.22 Calculated Property
Cp,gas 653.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,5-Diiodo-L-tyrosine. Propanoic acid, 2-amino,3-[3,5-diiodo-4-[4-hydroxy-3-(1-methylethyl)phenoxy]phenyl]-. L-tyrosine, n-benzoyl-3,5-diiodo-, ethyl ester. 3-Iodo-L-tyrosine, O-tert-butyldimethylsilyl-, tert-butyldimethylsilyl ester. Tanshinone II-b. l-Thyronine, trimethylsilyl ester. 5-Methoxytryptophan, ethoxycarbonylated, TBDMS. Aflatoxin G2. L-Tyrosine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. D-Tyrosine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. 5,6-Dihydrouracil riboside, TMS. norbormide. Moexipril Me. azadirachtin. Baptifoline.

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

Sources

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