Chemical Properties of 3-Buten-2-one, 4-(4-iodophenyl)- (CAS 18175-21-8)

InChI

InChI=1S/C10H9IO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+

InChI Key

RNZRSAAJEHQBKM-NSCUHMNNSA-N

Formula

C10H9IO

SMILES

CC(=O)C=Cc1ccc(I)cc1

Molecular Weight¹

272.08

CAS

18175-21-8

Other Names

• (E)-4-(4-Iodophenyl)but-3-en-2-one

• 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_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	[166.91; 381.28]	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			-2.09400e+01
Coefficient B			8.46420e-01
Coefficient C			-6.30860e-04
Coefficient D			1.86660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.91	J/mol×K	273.00	Calculated Property
Cp,gas	207.81	J/mol×K	353.78	Calculated Property
Cp,gas	243.06	J/mol×K	434.56	Calculated Property
Cp,gas	273.26	J/mol×K	515.33	Calculated Property
Cp,gas	298.98	J/mol×K	596.11	Calculated Property
Cp,gas	320.84	J/mol×K	676.89	Calculated Property
Cp,gas	339.40	J/mol×K	757.67	Calculated Property
Cp,gas	355.27	J/mol×K	838.44	Calculated Property
Cp,gas	369.03	J/mol×K	919.22	Calculated Property
Cp,gas	381.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022563; 0.0002301]	Pa×s	[344.31; 608.07]	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			-1.13569e+01
Coefficient B			1.81205e+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.			344.31
Temperature range, max.			608.07
η	0.0022563	Pa×s	344.31	Calculated Property
η	0.0014932	Pa×s	373.62	Calculated Property
η	0.0010493	Pa×s	402.92	Calculated Property
η	0.0007735	Pa×s	432.23	Calculated Property
η	0.0005927	Pa×s	461.54	Calculated Property
η	0.0004689	Pa×s	490.84	Calculated Property
η	0.0003808	Pa×s	520.15	Calculated Property
η	0.0003163	Pa×s	549.45	Calculated Property
η	0.0002676	Pa×s	578.76	Calculated Property
η	0.0002301	Pa×s	608.07	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-2-one, 4-(4-iodophenyl)-.

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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