Chemical Properties of Benzene, (1-chloroethyl)- (CAS 672-65-1)

InChI

InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

InChI Key

GTLWADFFABIGAE-UHFFFAOYSA-N

Formula

C8H9Cl

SMILES

CC(Cl)c1ccccc1

Molecular Weight¹

140.61

CAS

672-65-1

Other Names

• (1-Chloroethyl)benzene
• («alpha»-Chloroethyl)benzene
• 1-Chloro-1-phenylethane
• 1-Phenyl-1-chloroethane
• 1-Phenylethyl chloride
• «alpha»-Methylbenzyl chloride
• «alpha»-Phenethyl chloride
• «alpha»-Phenylethyl chloride

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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	0.2960		Relay (1.0) Calculated Property
ΔcH°liquid	-4399.77	kJ/mol	NIST
ΔfG°	114.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-21.83	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-58.24	kJ/mol	NIST
ΔfusH°	11.19	kJ/mol	Joback Calculated Property
ΔvapH°	[52.40; 52.80]	kJ/mol
ΔvapH°	52.80 ± 0.20	kJ/mol	NIST
ΔvapH°	52.40	kJ/mol	NIST
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	2.986		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	3526.27	kPa	Joback Calculated Property
Inp	[1039.00; 1060.00]
Inp	1039.00		NIST
Inp	1060.00		NIST
Inp	1044.00		NIST
Inp	1051.00		NIST
Inp	1060.00		NIST
Inp	1051.00		NIST
Tboil	453.64	K	Relay (1.0) Calculated Property
Tc	683.25	K	Relay (1.0) Calculated Property
Tfus	236.17	K	Relay (1.0) Calculated Property
Vc	0.400	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.00; 51.40]	kJ/mol	[354.00; 360.00]
ΔvapH	51.40	kJ/mol	354.00	NIST
ΔvapH	47.00	kJ/mol	360.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.03; 322.34]	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			-2.70800e+01
Coefficient B			6.97620e-01
Coefficient C			-4.66200e-04
Coefficient D			1.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.03	J/mol×K	273.00	Calculated Property
Cp,gas	166.60	J/mol×K	353.78	Calculated Property
Cp,gas	197.72	J/mol×K	434.56	Calculated Property
Cp,gas	224.77	J/mol×K	515.33	Calculated Property
Cp,gas	248.11	J/mol×K	596.11	Calculated Property
Cp,gas	268.12	J/mol×K	676.89	Calculated Property
Cp,gas	285.18	J/mol×K	757.67	Calculated Property
Cp,gas	299.65	J/mol×K	838.44	Calculated Property
Cp,gas	311.92	J/mol×K	919.22	Calculated Property
Cp,gas	322.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050108; 0.0002230]	Pa×s	[221.26; 467.93]	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			-1.12000e+01
Coefficient B			1.30628e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			221.26
Temperature range, max.			467.93
η	0.0050108	Pa×s	221.26	Calculated Property
η	0.0026140	Pa×s	248.67	Calculated Property
η	0.0015517	Pa×s	276.08	Calculated Property
η	0.0010121	Pa×s	303.48	Calculated Property
η	0.0007086	Pa×s	330.89	Calculated Property
η	0.0005239	Pa×s	358.30	Calculated Property
η	0.0004043	Pa×s	385.71	Calculated Property
η	0.0003230	Pa×s	413.12	Calculated Property
η	0.0002653	Pa×s	440.52	Calculated Property
η	0.0002230	Pa×s	467.93	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[340.36; 492.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42544e+01
Coefficient B			-3.77816e+03
Coefficient C			-6.98500e+01
Temperature range, min.			340.36
Temperature range, max.			492.32
Pvap	1.33	kPa	340.36	Calculated Property
Pvap	3.03	kPa	357.24	Calculated Property
Pvap	6.28	kPa	374.13	Calculated Property
Pvap	12.07	kPa	391.01	Calculated Property
Pvap	21.71	kPa	407.90	Calculated Property
Pvap	36.95	kPa	424.78	Calculated Property
Pvap	59.92	kPa	441.67	Calculated Property
Pvap	93.17	kPa	458.55	Calculated Property
Pvap	139.64	kPa	475.44	Calculated Property
Pvap	202.63	kPa	492.32	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-chloroethyl)-.

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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