Chemical Properties of Benzeneethanol, 4-chloro-, acetate (CAS 59163-72-3)

InChI

InChI=1S/C10H11ClO2/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-5H,6-7H2,1H3

InChI Key

VZCKVXGHPYHDRQ-UHFFFAOYSA-N

Formula

C10H11ClO2

SMILES

CC(=O)OCCc1ccc(Cl)cc1

Molecular Weight¹

198.65

CAS

59163-72-3

Other Names

• Acetic acid, 2-(4-chlorophenyl)ethyl ester

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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	[192.66; 430.05]	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			1.24920e+01
Coefficient B			7.67420e-01
Coefficient C			-4.10160e-04
Coefficient D			6.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.66	J/mol×K	273.00	Calculated Property
Cp,gas	235.32	J/mol×K	353.78	Calculated Property
Cp,gas	273.47	J/mol×K	434.56	Calculated Property
Cp,gas	307.30	J/mol×K	515.33	Calculated Property
Cp,gas	336.98	J/mol×K	596.11	Calculated Property
Cp,gas	362.72	J/mol×K	676.89	Calculated Property
Cp,gas	384.71	J/mol×K	757.67	Calculated Property
Cp,gas	403.13	J/mol×K	838.44	Calculated Property
Cp,gas	418.18	J/mol×K	919.22	Calculated Property
Cp,gas	430.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023164; 0.0002103]	Pa×s	[313.65; 540.02]	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			-1.17915e+01
Coefficient B			1.79524e+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.			313.65
Temperature range, max.			540.02
η	0.0023164	Pa×s	313.65	Calculated Property
η	0.0015145	Pa×s	338.80	Calculated Property
η	0.0010501	Pa×s	363.96	Calculated Property
η	0.0007634	Pa×s	389.11	Calculated Property
η	0.0005769	Pa×s	414.26	Calculated Property
η	0.0004502	Pa×s	439.41	Calculated Property
η	0.0003608	Pa×s	464.57	Calculated Property
η	0.0002959	Pa×s	489.72	Calculated Property
η	0.0002474	Pa×s	514.87	Calculated Property
η	0.0002103	Pa×s	540.02	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, 4-chloro-, acetate.

Sources

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

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