Chemical Properties of Benzene, (2-chloroethoxy)- (CAS 622-86-6)

InChI

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

InChI Key

VQUYNUJARXBNPK-UHFFFAOYSA-N

Formula

C8H9ClO

SMILES

ClCCOc1ccccc1

Molecular Weight¹

156.61

CAS

622-86-6

Other Names

• (2-Chloroethoxy)benzene
• 1-Phenoxy-2-chloroethane
• 2-Chloroethyl phenyl ether
• 2-Phenoxyethyl chloride
• Phenetole, «beta»-chloro-
• «beta»-Chlorophenetole
• «beta»-Phenoxyethyl chloride

• ω : Acentric Factor.
• 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 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	[146.74; 340.30]	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			1.02000e-01
Coefficient B			6.28500e-01
Coefficient C			-3.52000e-04
Coefficient D			6.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.74	J/mol×K	273.00	Calculated Property
Cp,gas	181.22	J/mol×K	353.78	Calculated Property
Cp,gas	211.98	J/mol×K	434.56	Calculated Property
Cp,gas	239.23	J/mol×K	515.33	Calculated Property
Cp,gas	263.17	J/mol×K	596.11	Calculated Property
Cp,gas	284.00	J/mol×K	676.89	Calculated Property
Cp,gas	301.93	J/mol×K	757.67	Calculated Property
Cp,gas	317.16	J/mol×K	838.44	Calculated Property
Cp,gas	329.88	J/mol×K	919.22	Calculated Property
Cp,gas	340.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011984; 0.0002158]	Pa×s	[301.15; 478.96]	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			-1.13442e+01
Coefficient B			1.39055e+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.			301.15
Temperature range, max.			478.96
η	0.0011984	Pa×s	301.15	Calculated Property
η	0.0009019	Pa×s	320.91	Calculated Property
η	0.0007015	Pa×s	340.66	Calculated Property
η	0.0005608	Pa×s	360.42	Calculated Property
η	0.0004589	Pa×s	380.18	Calculated Property
η	0.0003831	Pa×s	399.93	Calculated Property
η	0.0003252	Pa×s	419.69	Calculated Property
η	0.0002802	Pa×s	439.45	Calculated Property
η	0.0002446	Pa×s	459.20	Calculated Property
η	0.0002158	Pa×s	478.96	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-chloroethoxy)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.