Chemical Properties of p-Ethylbenzylchloride (CAS 1467-05-6)

InChI

InChI=1S/C9H11Cl/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2,7H2,1H3

InChI Key

DUBCVXSYZVTCOC-UHFFFAOYSA-N

Formula

C9H11Cl

SMILES

CCc1ccc(CCl)cc1

Molecular Weight¹

154.64

CAS

1467-05-6

Other Names

• 1-(Chloromethyl)-4-ethylbenzene
• 4-(Chloromethyl)-1-ethylbenzene
• 4-Ethylbenzyl chloride
• Benzene, 1-(chloromethyl)-4-ethyl-

• 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	0.3972		Relay (1.0) Calculated Property
ΔfG°	115.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.92	kJ/mol	Joback Calculated Property
ΔvapH°	58.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.988		Crippen Calculated Property
McVol	126.150	ml/mol	McGowan Calculated Property
Pc	3076.16	kPa	Joback Calculated Property
Inp	[1184.00; 1184.00]
Inp	1184.00		NIST
Inp	1184.00		NIST
Tboil	492.80	K	Relay (1.0) Calculated Property
Tc	705.63	K	Relay (1.0) Calculated Property
Tfus	259.08	K	Relay (1.0) Calculated Property
Vc	0.468	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.10; 370.35]	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			-1.20080e+01
Coefficient B			7.27220e-01
Coefficient C			-4.50360e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.10	J/mol×K	273.00	Calculated Property
Cp,gas	193.57	J/mol×K	353.78	Calculated Property
Cp,gas	227.62	J/mol×K	434.56	Calculated Property
Cp,gas	257.59	J/mol×K	515.33	Calculated Property
Cp,gas	283.81	J/mol×K	596.11	Calculated Property
Cp,gas	306.61	J/mol×K	676.89	Calculated Property
Cp,gas	326.34	J/mol×K	757.67	Calculated Property
Cp,gas	343.31	J/mol×K	838.44	Calculated Property
Cp,gas	357.87	J/mol×K	919.22	Calculated Property
Cp,gas	370.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023979; 0.0002341]	Pa×s	[260.05; 482.79]	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			-1.10759e+01
Coefficient B			1.31136e+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.			260.05
Temperature range, max.			482.79
η	0.0023979	Pa×s	260.05	Calculated Property
η	0.0015471	Pa×s	284.80	Calculated Property
η	0.0010706	Pa×s	309.55	Calculated Property
η	0.0007824	Pa×s	334.30	Calculated Property
η	0.0005970	Pa×s	359.05	Calculated Property
η	0.0004717	Pa×s	383.79	Calculated Property
η	0.0003835	Pa×s	408.54	Calculated Property
η	0.0003193	Pa×s	433.29	Calculated Property
η	0.0002711	Pa×s	458.04	Calculated Property
η	0.0002341	Pa×s	482.79	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[355.57; 521.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38272e+01
Coefficient B			-3.79701e+03
Coefficient C			-7.51370e+01
Temperature range, min.			355.57
Temperature range, max.			521.02
Pvap	1.33	kPa	355.57	Calculated Property
Pvap	3.07	kPa	373.95	Calculated Property
Pvap	6.40	kPa	392.34	Calculated Property
Pvap	12.34	kPa	410.72	Calculated Property
Pvap	22.20	kPa	429.10	Calculated Property
Pvap	37.71	kPa	447.49	Calculated Property
Pvap	60.92	kPa	465.87	Calculated Property
Pvap	94.28	kPa	484.25	Calculated Property
Pvap	140.52	kPa	502.64	Calculated Property
Pvap	202.66	kPa	521.02	Calculated Property

Similar Compounds

Find more compounds similar to p-Ethylbenzylchloride.

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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