Chemical Properties of Benzene, 1-chloro-4-ethenyl- (CAS 1073-67-2)

InChI

InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2

InChI Key

KTZVZZJJVJQZHV-UHFFFAOYSA-N

Formula

C8H7Cl

SMILES

C=Cc1ccc(Cl)cc1

Molecular Weight¹

138.59

CAS

1073-67-2

Other Names

• 1-chloro-4-vinylbenzene
• 4-chlorostyrene
• Benzene, 4-chloro-1-ethenyl-
• Parachlorostyrene
• benzene, 1-chloro-4-vinyl-
• p-chlorostyrene
• styrene, p-chloro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.3056		Relay (1.0) Calculated Property
ΔfH°gas	117.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.04	kJ/mol	Joback Calculated Property
ΔvapH°	50.26	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	2.983		Crippen Calculated Property
McVol	107.760	ml/mol	McGowan Calculated Property
Pc	3607.21	kPa	Joback Calculated Property
Inp	[1043.70; 1043.70]
Inp	1043.70		NIST
Inp	1043.70		NIST
Ip	[1534.70; 1537.80]
Ip	1537.80		NIST
Ip	1534.70		NIST
Tboil	465.20	K	NIST
Tc	675.97	K	Relay (1.0) Calculated Property
Tfus	277.51	K	Relay (1.0) Calculated Property
Vc	0.388	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[124.08; 290.25]	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			-1.40900e+01
Coefficient B			6.12200e-01
Coefficient C			-4.18860e-04
Coefficient D			1.11000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	124.08	J/mol×K	273.00	Calculated Property
Cp,gas	154.98	J/mol×K	353.78	Calculated Property
Cp,gas	181.96	J/mol×K	434.56	Calculated Property
Cp,gas	205.35	J/mol×K	515.33	Calculated Property
Cp,gas	225.52	J/mol×K	596.11	Calculated Property
Cp,gas	242.81	J/mol×K	676.89	Calculated Property
Cp,gas	257.58	J/mol×K	757.67	Calculated Property
Cp,gas	270.18	J/mol×K	838.44	Calculated Property
Cp,gas	280.95	J/mol×K	919.22	Calculated Property
Cp,gas	290.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020587; 0.0002250]	Pa×s	[247.02; 470.24]	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			-1.08494e+01
Coefficient B			1.15204e+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.			247.02
Temperature range, max.			470.24
η	0.0020587	Pa×s	247.02	Calculated Property
η	0.0013452	Pa×s	271.82	Calculated Property
η	0.0009438	Pa×s	296.62	Calculated Property
η	0.0006994	Pa×s	321.43	Calculated Property
η	0.0005410	Pa×s	346.23	Calculated Property
η	0.0004331	Pa×s	371.03	Calculated Property
η	0.0003566	Pa×s	395.83	Calculated Property
η	0.0003003	Pa×s	420.64	Calculated Property
η	0.0002579	Pa×s	445.44	Calculated Property
η	0.0002250	Pa×s	470.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[341.23; 491.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.09976e+01
Coefficient B			-9.71028e+03
Coefficient C			1.27638e+02
Temperature range, min.			341.23
Temperature range, max.			491.40
Pvap	1.33	kPa	341.23	Calculated Property
Pvap	2.72	kPa	357.92	Calculated Property
Pvap	5.28	kPa	374.60	Calculated Property
Pvap	9.83	kPa	391.29	Calculated Property
Pvap	17.61	kPa	407.97	Calculated Property
Pvap	30.45	kPa	424.66	Calculated Property
Pvap	50.99	kPa	441.34	Calculated Property
Pvap	82.91	kPa	458.03	Calculated Property
Pvap	131.24	kPa	474.71	Calculated Property
Pvap	202.67	kPa	491.40	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-4-ethenyl-.

Mixtures

• Benzene, 1-chloro-4-ethenyl- + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Effect of cosolvent on cloud-point of binary and ternary systems for the poly(4-chlorostyrene) + cosolvent mixtures in supercritical fluid solvents
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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