Chemical Properties of 3-Buten-2-one, 4-[(4-chlorophenyl)amino]-4-hydroxy- (CAS 114113-14-3)

InChI

InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-6,12,14H,1H3/b10-6-

InChI Key

FNZYEPGRAPXOIZ-POHAHGRESA-N

Formula

C10H10ClNO2

SMILES

CC(=O)C=C(O)Nc1ccc(Cl)cc1

Molecular Weight¹

211.65

CAS

114113-14-3

• 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_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 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	[192.08; 435.67]	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			-1.53500e+01
Coefficient B			9.24320e-01
Coefficient C			-6.51160e-04
Coefficient D			1.77860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.08	J/mol×K	273.00	Calculated Property
Cp,gas	238.03	J/mol×K	353.78	Calculated Property
Cp,gas	277.95	J/mol×K	434.56	Calculated Property
Cp,gas	312.40	J/mol×K	515.33	Calculated Property
Cp,gas	341.93	J/mol×K	596.11	Calculated Property
Cp,gas	367.13	J/mol×K	676.89	Calculated Property
Cp,gas	388.53	J/mol×K	757.67	Calculated Property
Cp,gas	406.72	J/mol×K	838.44	Calculated Property
Cp,gas	422.24	J/mol×K	919.22	Calculated Property
Cp,gas	435.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-2-one, 4-[(4-chlorophenyl)amino]-4-hydroxy-.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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