Chemical Properties of Benzene, (2-chloroethyl)- (CAS 622-24-2)

InChI

InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChI Key

MNNZINNZIQVULG-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

ClCCc1ccccc1

Molecular Weight¹

140.61

CAS

622-24-2

Other Names

• (2-chloroethyl)benzene
• («beta»-Chloroethyl)benzene
• 1-chloro-2-phenylethane
• 2-Phenyl-1-chloroethane
• 2-phenylethyl chloride
• NSC 27886
• Phenethyl chloride
• «beta»-Phenethyl chloride
• «beta»-Phenylethyl 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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	0.3596		Relay (1.0) Calculated Property
ΔfG°	116.96	kJ/mol	Joback Calculated Property
ΔfH°gas	17.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.71	kJ/mol	Joback Calculated Property
ΔvapH°	52.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-2.72		Relay (1.0) Calculated Property
logPoct/wat	2.468		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3493.01	kPa	Joback Calculated Property
Inp	[167.20; 1090.00]
Inp	1082.60		NIST
Inp	1081.00		NIST
Inp	1090.00		NIST
Inp	1076.00		NIST
Inp	1076.00		NIST
Inp	1076.00		NIST
Inp	Outlier 167.20		NIST
Inp	1076.00		NIST
Inp	1082.60		NIST
I	1593.00		NIST
Tboil	472.38	K	Relay (1.0) Calculated Property
Tc	695.95	K	Relay (1.0) Calculated Property
Tfus	212.25	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[51.70; 53.10]	kJ/mol	[368.00; 418.00]
ΔvapH	51.70	kJ/mol	368.00	NIST
ΔvapH	53.10	kJ/mol	418.00	NIST
ρl	1066.91	kg/m3	298.15	Excess Enthalpies of Chloroalkylbenzene + Alkylbenzene Mixtures

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[356.20; 365.20]	K	[2.10; 2.70]
Tboilr	356.20	K	2.10	NIST
Tboilr	365.20	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.34; 321.80]	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			-2.53980e+01
Coefficient B			6.91700e-01
Coefficient C			-4.63000e-04
Coefficient D			1.18500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.34	J/mol×K	273.00	Calculated Property
Cp,gas	166.61	J/mol×K	353.78	Calculated Property
Cp,gas	197.48	J/mol×K	434.56	Calculated Property
Cp,gas	224.32	J/mol×K	515.33	Calculated Property
Cp,gas	247.51	J/mol×K	596.11	Calculated Property
Cp,gas	267.42	J/mol×K	676.89	Calculated Property
Cp,gas	284.43	J/mol×K	757.67	Calculated Property
Cp,gas	298.92	J/mol×K	838.44	Calculated Property
Cp,gas	311.25	J/mol×K	919.22	Calculated Property
Cp,gas	321.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033558; 0.0002399]	Pa×s	[236.26; 464.51]	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			-1.10660e+01
Coefficient B			1.26846e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			236.26
Temperature range, max.			464.51
η	0.0033558	Pa×s	236.26	Calculated Property
η	0.0019942	Pa×s	261.62	Calculated Property
η	0.0012992	Pa×s	286.98	Calculated Property
η	0.0009075	Pa×s	312.34	Calculated Property
η	0.0006689	Pa×s	337.70	Calculated Property
η	0.0005145	Pa×s	363.06	Calculated Property
η	0.0004096	Pa×s	388.42	Calculated Property
η	0.0003353	Pa×s	413.79	Calculated Property
η	0.0002809	Pa×s	439.15	Calculated Property
η	0.0002399	Pa×s	464.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.52; 490.07]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49195e+01
Coefficient B			-4.01689e+03
Coefficient C			-7.19910e+01
Temperature range, min.			346.52
Temperature range, max.			490.07
Pvap	1.33	kPa	346.52	Calculated Property
Pvap	2.98	kPa	362.47	Calculated Property
Pvap	6.12	kPa	378.42	Calculated Property
Pvap	11.70	kPa	394.37	Calculated Property
Pvap	21.05	kPa	410.32	Calculated Property
Pvap	35.92	kPa	426.27	Calculated Property
Pvap	58.54	kPa	442.22	Calculated Property
Pvap	91.64	kPa	458.17	Calculated Property
Pvap	138.44	kPa	474.12	Calculated Property
Pvap	202.66	kPa	490.07	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-chloroethyl)-.

Mixtures

• Benzene + Benzene, (2-chloroethyl)-
• Toluene + Benzene, (2-chloroethyl)-
• Benzene, (2-chloroethyl)- + Benzene, ethyl-
• Benzene, (2-chloroethyl)- + Benzene, propyl-
• Benzene, n-butyl- + Benzene, (2-chloroethyl)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Excess Enthalpies of Chloroalkylbenzene + Alkylbenzene Mixtures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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