Chemical Properties of (4-Chlorobutyl)benzene (CAS 4830-93-7)

InChI

InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChI Key

FLLZCZIHURYEQP-UHFFFAOYSA-N

Formula

C10H13Cl

SMILES

ClCCCCc1ccccc1

Molecular Weight¹

168.67

CAS

4830-93-7

Other Names

• 1-Chloro-4-phenylbutane
• 4-Phenyl-n-butyl chloride
• 4-Phenylbutyl chloride

• 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).
• P_vap : Vapor 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4435		Relay (1.0) Calculated Property
ΔfG°	133.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-32.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.89	kJ/mol	Joback Calculated Property
ΔvapH°	61.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-3.78		Relay (1.0) Calculated Property
logPoct/wat	3.248		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	2817.33	kPa	Joback Calculated Property
Inp	[1256.00; 1256.00]
Inp	1256.00		NIST
Inp	1256.00		NIST
Tboil	508.40	K	Relay (1.0) Calculated Property
Tc	728.84	K	Relay (1.0) Calculated Property
Tfus	226.40	K	Relay (1.0) Calculated Property
Vc	0.514	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.77; 424.98]	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			-2.72160e+01
Coefficient B			8.81700e-01
Coefficient C			-5.71800e-04
Coefficient D			1.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.77	J/mol×K	273.00	Calculated Property
Cp,gas	219.44	J/mol×K	353.78	Calculated Property
Cp,gas	259.63	J/mol×K	434.56	Calculated Property
Cp,gas	294.78	J/mol×K	515.33	Calculated Property
Cp,gas	325.33	J/mol×K	596.11	Calculated Property
Cp,gas	351.74	J/mol×K	676.89	Calculated Property
Cp,gas	374.46	J/mol×K	757.67	Calculated Property
Cp,gas	393.95	J/mol×K	838.44	Calculated Property
Cp,gas	410.64	J/mol×K	919.22	Calculated Property
Cp,gas	424.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035067; 0.0002430]	Pa×s	[258.80; 492.19]	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			-1.12821e+01
Coefficient B			1.45678e+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.			258.80
Temperature range, max.			492.19
η	0.0035067	Pa×s	258.80	Calculated Property
η	0.0021001	Pa×s	284.73	Calculated Property
η	0.0013702	Pa×s	310.66	Calculated Property
η	0.0009547	Pa×s	336.60	Calculated Property
η	0.0007005	Pa×s	362.53	Calculated Property
η	0.0005357	Pa×s	388.46	Calculated Property
η	0.0004236	Pa×s	414.39	Calculated Property
η	0.0003444	Pa×s	440.32	Calculated Property
η	0.0002865	Pa×s	466.26	Calculated Property
η	0.0002430	Pa×s	492.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[362.22; 551.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.28852e+01
Coefficient B			-3.58745e+03
Coefficient C			-7.74460e+01
Temperature range, min.			362.22
Temperature range, max.			551.12
Pvap	1.33	kPa	362.22	Calculated Property
Pvap	3.17	kPa	383.21	Calculated Property
Pvap	6.73	kPa	404.20	Calculated Property
Pvap	13.05	kPa	425.19	Calculated Property
Pvap	23.47	kPa	446.18	Calculated Property
Pvap	39.64	kPa	467.16	Calculated Property
Pvap	63.46	kPa	488.15	Calculated Property
Pvap	97.03	kPa	509.14	Calculated Property
Pvap	142.64	kPa	530.13	Calculated Property
Pvap	202.65	kPa	551.12	Calculated Property

Similar Compounds

Find more compounds similar to (4-Chlorobutyl)benzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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