Chemical Properties of Benzene, 1-chloro-4-phenoxy- (CAS 7005-72-3)

InChI

InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

InChI Key

PGPNJCAMHOJTEF-UHFFFAOYSA-N

Formula

C12H9ClO

SMILES

Clc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

204.65

CAS

7005-72-3

Other Names

• Ether, p-chlorophenyl phenyl
• p-Chlorodiphenyl oxide
• p-Chlorophenyl phenyl ether
• 1-Chloro-4-phenoxybenzene
• 4-Chlorodiphenyl ether
• 4-Chlorophenyl phenyl ether

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4648		Relay (1.0) Calculated Property
ΔfG°	148.42	kJ/mol	Joback Calculated Property
ΔfH°gas	22.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.91	kJ/mol	Joback Calculated Property
ΔvapH°	72.64	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	4.132		Crippen Calculated Property
McVol	150.530	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback Calculated Property
Inp	[270.90; 1588.00]
Inp	1546.50		NIST
Inp	1588.00		NIST
Inp	270.90		NIST
Inp	1546.50		NIST
Inp	1588.00		NIST
Tboil	560.86	K	Relay (1.0) Calculated Property
Tc	818.52	K	Relay (1.0) Calculated Property
Tfus	293.40	K	Relay (1.0) Calculated Property
Vc	0.547	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.89; 425.10]	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			-2.31400e+01
Coefficient B			8.70100e-01
Coefficient C			-5.33760e-04
Coefficient D			1.11900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.89	J/mol×K	273.00	Calculated Property
Cp,gas	222.83	J/mol×K	353.78	Calculated Property
Cp,gas	263.35	J/mol×K	434.56	Calculated Property
Cp,gas	298.82	J/mol×K	515.33	Calculated Property
Cp,gas	329.57	J/mol×K	596.11	Calculated Property
Cp,gas	355.97	J/mol×K	676.89	Calculated Property
Cp,gas	378.37	J/mol×K	757.67	Calculated Property
Cp,gas	397.12	J/mol×K	838.44	Calculated Property
Cp,gas	412.58	J/mol×K	919.22	Calculated Property
Cp,gas	425.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014227; 0.0001666]	Pa×s	[342.51; 590.47]	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			-1.16627e+01
Coefficient B			1.74935e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			342.51
Temperature range, max.			590.47
η	0.0014227	Pa×s	342.51	Calculated Property
η	0.0009727	Pa×s	370.06	Calculated Property
η	0.0007010	Pa×s	397.61	Calculated Property
η	0.0005271	Pa×s	425.16	Calculated Property
η	0.0004103	Pa×s	452.72	Calculated Property
η	0.0003287	Pa×s	480.27	Calculated Property
η	0.0002698	Pa×s	507.82	Calculated Property
η	0.0002260	Pa×s	535.37	Calculated Property
η	0.0001926	Pa×s	562.92	Calculated Property
η	0.0001666	Pa×s	590.47	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-4-phenoxy-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.