Chemical Properties of trans-3-Trifluoromethylcinnamic acid, 3,4-dichlorophenyl ester

InChI

InChI=1S/C16H9Cl2F3O2/c17-13-6-5-12(9-14(13)18)23-15(22)7-4-10-2-1-3-11(8-10)16(19,20)21/h1-9H/b7-4+

InChI Key

SYIKQBYNUJFNEK-QPJJXVBHSA-N

Formula

C16H9Cl2F3O2

SMILES

O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)c(Cl)c1

Molecular Weight¹

361.14

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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
ΔfG°	-479.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.06	kJ/mol	Joback Calculated Property
ΔfusH°	37.32	kJ/mol	Joback Calculated Property
ΔvapH°	71.89	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	5.631		Crippen Calculated Property
McVol	221.710	ml/mol	McGowan Calculated Property
Pc	2012.70	kPa	Joback Calculated Property
Inp	[2310.00; 2310.00]
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	783.67	K	Joback Calculated Property
Tc	1015.30	K	Joback Calculated Property
Tfus	491.59	K	Joback Calculated Property
Vc	0.861	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.44; 617.49]	J/mol×K	[783.67; 1015.30]
Cp,gas	564.44	J/mol×K	783.67	Joback Calculated Property
Cp,gas	575.36	J/mol×K	822.27	Joback Calculated Property
Cp,gas	585.34	J/mol×K	860.88	Joback Calculated Property
Cp,gas	594.46	J/mol×K	899.48	Joback Calculated Property
Cp,gas	602.80	J/mol×K	938.09	Joback Calculated Property
Cp,gas	610.45	J/mol×K	976.69	Joback Calculated Property
Cp,gas	617.49	J/mol×K	1015.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 3,4-dichlorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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