Chemical Properties of 3,4-Dichlorobenzotrifluoride (CAS 328-84-7)

InChI

InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChI Key

XILPLWOGHPSJBK-UHFFFAOYSA-N

Formula

C7H3Cl2F3

SMILES

FC(F)(F)c1ccc(Cl)c(Cl)c1

Molecular Weight¹

215.00

CAS

328-84-7

Other Names

• 3,4-dichloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
• 3,4-dichloro-«alpha»,«alpha»,«alpha»-trifluorotoluene
• Benzene, 1,2-dichloro-4-(trifluoromethyl)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.3676		Relay (1.0) Calculated Property
ΔfG°	-504.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-640.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.37	kJ/mol	Joback Calculated Property
ΔvapH°	51.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-3.69		Relay (1.0) Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	115.520	ml/mol	McGowan Calculated Property
Pc	3159.72	kPa	Joback Calculated Property
Tboil	[446.50; 446.70]	K
Tboil	446.70	K	NIST
Tboil	446.50 ± 0.50	K	NIST
Tc	665.89	K	Relay (1.0) Calculated Property
Tfus	300.73	K	Relay (1.0) Calculated Property
Vc	0.419	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.20; 258.84]	J/mol×K	[465.64; 673.39]
Cp,gas	215.20	J/mol×K	465.64	Joback Calculated Property
Cp,gas	224.05	J/mol×K	500.26	Joback Calculated Property
Cp,gas	232.21	J/mol×K	534.89	Joback Calculated Property
Cp,gas	239.74	J/mol×K	569.51	Joback Calculated Property
Cp,gas	246.66	J/mol×K	604.14	Joback Calculated Property
Cp,gas	253.01	J/mol×K	638.76	Joback Calculated Property
Cp,gas	258.84	J/mol×K	673.39	Joback Calculated Property
ΔvapH	[41.80; 44.10]	kJ/mol	[365.00; 403.00]
ΔvapH	41.80	kJ/mol	365.00	NIST
ΔvapH	44.10	kJ/mol	403.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[327.07; 473.65]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.74419e+01
Coefficient B			-6.07136e+03
Coefficient C			2.68530e+01
Temperature range, min.			327.07
Temperature range, max.			473.65
Pvap	1.33	kPa	327.07	Calculated Property
Pvap	2.84	kPa	343.36	Calculated Property
Pvap	5.66	kPa	359.64	Calculated Property
Pvap	10.68	kPa	375.93	Calculated Property
Pvap	19.19	kPa	392.22	Calculated Property
Pvap	32.99	kPa	408.50	Calculated Property
Pvap	54.55	kPa	424.79	Calculated Property
Pvap	87.09	kPa	441.08	Calculated Property
Pvap	134.75	kPa	457.36	Calculated Property
Pvap	202.63	kPa	473.65	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dichlorobenzotrifluoride.

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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