Chemical Properties of Benzeneethanol, 3-chloro- (CAS 5182-44-5)

InChI

InChI=1S/C8H9ClO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

InChI Key

NDWAVJKRSASRPH-UHFFFAOYSA-N

Formula

C8H9ClO

SMILES

OCCc1cccc(Cl)c1

Molecular Weight¹

156.61

CAS

5182-44-5

Other Names

• Phenethyl alcohol, m-chloro-
• 2-(3-Chlorophenyl)ethanol
• m-Chlorophenethyl alcohol
• m-chlorophenethylic alcohol

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.39; 337.43]	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			-5.80800e+00
Coefficient B			6.66200e-01
Coefficient C			-4.26360e-04
Coefficient D			1.03400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.39	J/mol×K	273.00	Calculated Property
Cp,gas	181.09	J/mol×K	353.78	Calculated Property
Cp,gas	211.66	J/mol×K	434.56	Calculated Property
Cp,gas	238.43	J/mol×K	515.33	Calculated Property
Cp,gas	261.72	J/mol×K	596.11	Calculated Property
Cp,gas	281.85	J/mol×K	676.89	Calculated Property
Cp,gas	299.17	J/mol×K	757.67	Calculated Property
Cp,gas	313.98	J/mol×K	838.44	Calculated Property
Cp,gas	326.63	J/mol×K	919.22	Calculated Property
Cp,gas	337.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073323; 0.0001524]	Pa×s	[309.60; 523.29]	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			-1.44012e+01
Coefficient B			2.93679e+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.			309.60
Temperature range, max.			523.29
η	0.0073323	Pa×s	309.60	Calculated Property
η	0.0037308	Pa×s	333.34	Calculated Property
η	0.0020768	Pa×s	357.09	Calculated Property
η	0.0012437	Pa×s	380.83	Calculated Property
η	0.0007910	Pa×s	404.57	Calculated Property
η	0.0005289	Pa×s	428.32	Calculated Property
η	0.0003690	Pa×s	452.06	Calculated Property
η	0.0002668	Pa×s	475.80	Calculated Property
η	0.0001990	Pa×s	499.55	Calculated Property
η	0.0001524	Pa×s	523.29	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, 3-chloro-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.