Chemical Properties of Benzene, 1-phenoxy-4-(2-chloroethoxy)- (CAS 61435-02-7)

InChI

InChI=1S/C14H13ClO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11H2

InChI Key

ACDJKCYEQDTWGR-UHFFFAOYSA-N

Formula

C14H13ClO2

SMILES

ClCCOc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

248.71

CAS

61435-02-7

• 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).
• 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	[234.73; 546.78]	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			5.42000e-01
Coefficient B			9.96900e-01
Coefficient C			-5.31560e-04
Coefficient D			8.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.73	J/mol×K	273.00	Calculated Property
Cp,gas	290.28	J/mol×K	353.78	Calculated Property
Cp,gas	340.01	J/mol×K	434.56	Calculated Property
Cp,gas	384.18	J/mol×K	515.33	Calculated Property
Cp,gas	423.05	J/mol×K	596.11	Calculated Property
Cp,gas	456.87	J/mol×K	676.89	Calculated Property
Cp,gas	485.90	J/mol×K	757.67	Calculated Property
Cp,gas	510.39	J/mol×K	838.44	Calculated Property
Cp,gas	530.60	J/mol×K	919.22	Calculated Property
Cp,gas	546.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009749; 0.0001269]	Pa×s	[387.28; 628.04]	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			-1.22517e+01
Coefficient B			2.05976e+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.			387.28
Temperature range, max.			628.04
η	0.0009749	Pa×s	387.28	Calculated Property
η	0.0006914	Pa×s	414.03	Calculated Property
η	0.0005112	Pa×s	440.78	Calculated Property
η	0.0003913	Pa×s	467.53	Calculated Property
η	0.0003083	Pa×s	494.29	Calculated Property
η	0.0002489	Pa×s	521.04	Calculated Property
η	0.0002052	Pa×s	547.79	Calculated Property
η	0.0001722	Pa×s	574.54	Calculated Property
η	0.0001468	Pa×s	601.29	Calculated Property
η	0.0001269	Pa×s	628.04	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-phenoxy-4-(2-chloroethoxy)-.

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.