Chemical Properties of 4-n-Butylchlorobenzene (CAS 15499-27-1)

InChI

InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3

InChI Key

SKNUPXIXICTRJE-UHFFFAOYSA-N

Formula

C10H13Cl

SMILES

CCCCc1ccc(Cl)cc1

Molecular Weight¹

168.66

CAS

15499-27-1

Other Names

• Benzene, 1-butyl-4-chloro
• p-Clorobutylbenzene
• 1-(4-chlorophenyl)butane

• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.4186		Relay (1.0) Calculated Property
ΔfG°	124.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.50	kJ/mol	Joback Calculated Property
ΔvapH°	58.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-4.73		Relay (1.0) Calculated Property
logPoct/wat	3.683		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	2773.00	kPa	Joback Calculated Property
Ip	[1641.00; 1641.00]
Ip	1641.00		NIST
Ip	1641.00		NIST
Tboil	497.20	K	Relay (1.0) Calculated Property
Tc	691.90	K	Relay (1.0) Calculated Property
Tfus	235.29	K	Relay (1.0) Calculated Property
Vc	0.525	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.32; 421.94]	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			-1.29170e+01
Coefficient B			8.22220e-01
Coefficient C			-5.04760e-04
Coefficient D			1.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.32	J/mol×K	273.00	Calculated Property
Cp,gas	219.99	J/mol×K	353.78	Calculated Property
Cp,gas	258.70	J/mol×K	434.56	Calculated Property
Cp,gas	292.82	J/mol×K	515.33	Calculated Property
Cp,gas	322.72	J/mol×K	596.11	Calculated Property
Cp,gas	348.77	J/mol×K	676.89	Calculated Property
Cp,gas	371.35	J/mol×K	757.67	Calculated Property
Cp,gas	390.83	J/mol×K	838.44	Calculated Property
Cp,gas	407.57	J/mol×K	919.22	Calculated Property
Cp,gas	421.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024596; 0.0002346]	Pa×s	[271.32; 496.54]	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			-1.11881e+01
Coefficient B			1.40552e+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.			271.32
Temperature range, max.			496.54
η	0.0024596	Pa×s	271.32	Calculated Property
η	0.0015881	Pa×s	296.34	Calculated Property
η	0.0010977	Pa×s	321.37	Calculated Property
η	0.0008003	Pa×s	346.39	Calculated Property
η	0.0006089	Pa×s	371.42	Calculated Property
η	0.0004795	Pa×s	396.44	Calculated Property
η	0.0003885	Pa×s	421.47	Calculated Property
η	0.0003223	Pa×s	446.49	Calculated Property
η	0.0002727	Pa×s	471.51	Calculated Property
η	0.0002346	Pa×s	496.54	Calculated Property

Similar Compounds

Find more compounds similar to 4-n-Butylchlorobenzene.

Sources

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

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