Chemical Properties of Benzene, (4-chlorobutoxy)- (CAS 2651-46-9)

InChI

InChI=1S/C10H13ClO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChI Key

JKXCPAVECBFBOC-UHFFFAOYSA-N

Formula

C10H13ClO

SMILES

ClCCCCOc1ccccc1

Molecular Weight¹

184.66

CAS

2651-46-9

Other Names

• 1-Chloro-4-phenoxybutane
• Ether, 4-chlorobutyl phenyl
• 4-Phenoxybutyl chloride
• 4-chlorobutyl phenyl ether

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.17; 443.48]	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			-1.71600e+00
Coefficient B			8.18500e-01
Coefficient C			-4.60800e-04
Coefficient D			8.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.17	J/mol×K	273.00	Calculated Property
Cp,gas	234.05	J/mol×K	353.78	Calculated Property
Cp,gas	274.13	J/mol×K	434.56	Calculated Property
Cp,gas	309.69	J/mol×K	515.33	Calculated Property
Cp,gas	340.99	J/mol×K	596.11	Calculated Property
Cp,gas	368.33	J/mol×K	676.89	Calculated Property
Cp,gas	391.97	J/mol×K	757.67	Calculated Property
Cp,gas	412.19	J/mol×K	838.44	Calculated Property
Cp,gas	429.27	J/mol×K	919.22	Calculated Property
Cp,gas	443.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025817; 0.0002117]	Pa×s	[281.03; 506.51]	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			-1.15775e+01
Coefficient B			1.57887e+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.			281.03
Temperature range, max.			506.51
η	0.0025817	Pa×s	281.03	Calculated Property
η	0.0016300	Pa×s	306.08	Calculated Property
η	0.0011033	Pa×s	331.14	Calculated Property
η	0.0007890	Pa×s	356.19	Calculated Property
η	0.0005896	Pa×s	381.24	Calculated Property
η	0.0004567	Pa×s	406.30	Calculated Property
η	0.0003644	Pa×s	431.35	Calculated Property
η	0.0002981	Pa×s	456.40	Calculated Property
η	0.0002490	Pa×s	481.46	Calculated Property
η	0.0002117	Pa×s	506.51	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (4-chlorobutoxy)-.

Sources

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

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