Chemical Properties of 4'-(«beta»-Chloroethyl)acetophenone (CAS 69614-95-5)

InChI

InChI=1S/C10H11ClO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3

InChI Key

RGVUACHOYCYNMB-UHFFFAOYSA-N

Formula

C10H11ClO

SMILES

CC(=O)c1ccc(CCCl)cc1

Molecular Weight¹

182.65

CAS

69614-95-5

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.24; 410.96]	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			-5.55800e+00
Coefficient B			7.94220e-01
Coefficient C			-4.86060e-04
Coefficient D			1.08360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.24	J/mol×K	273.00	Calculated Property
Cp,gas	219.38	J/mol×K	353.78	Calculated Property
Cp,gas	256.68	J/mol×K	434.56	Calculated Property
Cp,gas	289.48	J/mol×K	515.33	Calculated Property
Cp,gas	318.12	J/mol×K	596.11	Calculated Property
Cp,gas	342.94	J/mol×K	676.89	Calculated Property
Cp,gas	364.30	J/mol×K	757.67	Calculated Property
Cp,gas	382.53	J/mol×K	838.44	Calculated Property
Cp,gas	397.97	J/mol×K	919.22	Calculated Property
Cp,gas	410.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022030; 0.0002736]	Pa×s	[321.25; 540.58]	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			-1.12594e+01
Coefficient B			1.65171e+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.			321.25
Temperature range, max.			540.58
η	0.0022030	Pa×s	321.25	Calculated Property
η	0.0015331	Pa×s	345.62	Calculated Property
η	0.0011191	Pa×s	369.99	Calculated Property
η	0.0008493	Pa×s	394.36	Calculated Property
η	0.0006656	Pa×s	418.73	Calculated Property
η	0.0005358	Pa×s	443.10	Calculated Property
η	0.0004411	Pa×s	467.47	Calculated Property
η	0.0003703	Pa×s	491.84	Calculated Property
η	0.0003160	Pa×s	516.21	Calculated Property
η	0.0002736	Pa×s	540.58	Calculated Property

Similar Compounds

Find more compounds similar to 4'-(«beta»-Chloroethyl)acetophenone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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