Chemical Properties of 2-Iodocinnamic acid

InChI

InChI=1S/C9H7IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)

InChI Key

SBCFNNJYIXFMFS-UHFFFAOYSA-N

Formula

C9H7IO2

SMILES

O=C(O)C=Cc1ccccc1I

Molecular Weight¹

274.06

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[158.40; 351.45]	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			-2.27900e+01
Coefficient B			8.30200e-01
Coefficient C			-6.67760e-04
Coefficient D			2.11800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.40	J/mol×K	273.00	Calculated Property
Cp,gas	196.72	J/mol×K	353.78	Calculated Property
Cp,gas	229.26	J/mol×K	434.56	Calculated Property
Cp,gas	256.69	J/mol×K	515.33	Calculated Property
Cp,gas	279.68	J/mol×K	596.11	Calculated Property
Cp,gas	298.90	J/mol×K	676.89	Calculated Property
Cp,gas	315.01	J/mol×K	757.67	Calculated Property
Cp,gas	328.70	J/mol×K	838.44	Calculated Property
Cp,gas	340.62	J/mol×K	919.22	Calculated Property
Cp,gas	351.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011039; 0.0002109]	Pa×s	[443.71; 660.11]	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			-1.18587e+01
Coefficient B			2.24064e+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.			443.71
Temperature range, max.			660.11
η	0.0011039	Pa×s	443.71	Calculated Property
η	0.0008515	Pa×s	467.75	Calculated Property
η	0.0006737	Pa×s	491.80	Calculated Property
η	0.0005448	Pa×s	515.84	Calculated Property
η	0.0004490	Pa×s	539.89	Calculated Property
η	0.0003762	Pa×s	563.93	Calculated Property
η	0.0003198	Pa×s	587.98	Calculated Property
η	0.0002753	Pa×s	612.02	Calculated Property
η	0.0002397	Pa×s	636.07	Calculated Property
η	0.0002109	Pa×s	660.11	Calculated Property

Similar Compounds

Find more compounds similar to 2-Iodocinnamic acid.

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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