Chemical Properties of Benzene, 1-chloro-3-ethenyl- (CAS 2039-85-2)

InChI

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

InChI Key

BOVQCIDBZXNFEJ-UHFFFAOYSA-N

Formula

C8H7Cl

SMILES

C=Cc1cccc(Cl)c1

Molecular Weight¹

138.60

CAS

2039-85-2

Other Names

• 3-Chlorostyrene
• 3-ClC6H4CH=CH2
• Styrene, m-chloro-
• m-Chlorostyrene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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

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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.21; 241.80]	J/mol×K	[448.41; 671.77]
Cp,gas	186.21	J/mol×K	448.41	Joback Calculated Property
Cp,gas	197.15	J/mol×K	485.64	Joback Calculated Property
Cp,gas	207.36	J/mol×K	522.86	Joback Calculated Property
Cp,gas	216.90	J/mol×K	560.09	Joback Calculated Property
Cp,gas	225.80	J/mol×K	597.32	Joback Calculated Property
Cp,gas	234.09	J/mol×K	634.55	Joback Calculated Property
Cp,gas	241.80	J/mol×K	671.77	Joback Calculated Property
η	[0.0002535; 0.0020587]	Pa×s	[247.02; 448.41]
η	0.0020587	Pa×s	247.02	Joback Calculated Property
η	0.0011784	Pa×s	280.58	Joback Calculated Property
η	0.0007599	Pa×s	314.15	Joback Calculated Property
η	0.0005334	Pa×s	347.71	Joback Calculated Property
η	0.0003985	Pa×s	381.28	Joback Calculated Property
η	0.0003120	Pa×s	414.84	Joback Calculated Property
η	0.0002535	Pa×s	448.41	Joback Calculated Property
ΔvapH	46.10	kJ/mol	380.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[340.60; 492.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51967e+01
Coefficient B			-4.45746e+03
Coefficient C			-4.16230e+01
Temperature range, min.			340.60
Temperature range, max.			492.55
Pvap	1.33	kPa	340.60	Calculated Property
Pvap	2.96	kPa	357.48	Calculated Property
Pvap	6.05	kPa	374.37	Calculated Property
Pvap	11.56	kPa	391.25	Calculated Property
Pvap	20.80	kPa	408.13	Calculated Property
Pvap	35.53	kPa	425.02	Calculated Property
Pvap	58.02	kPa	441.90	Calculated Property
Pvap	91.05	kPa	458.78	Calculated Property
Pvap	137.97	kPa	475.67	Calculated Property
Pvap	202.66	kPa	492.55	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-chloro-3-ethenyl-.

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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