Chemical Properties of 3-Trifluoromethylcinnamic acid, 2-chlorophenyl ester

InChI

InChI=1S/C16H10ClF3O2/c17-13-6-1-2-7-14(13)22-15(21)9-8-11-4-3-5-12(10-11)16(18,19)20/h1-10H/b9-8+

InChI Key

KBHSDKMMEATZAF-CMDGGOBGSA-N

Formula

C16H10ClF3O2

SMILES

O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1ccccc1Cl

Molecular Weight¹

326.70

• 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°	-457.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.85	kJ/mol	Joback Calculated Property
ΔfusH°	33.51	kJ/mol	Joback Calculated Property
ΔvapH°	66.84	kJ/mol	Joback Calculated Property
log10WS	-5.63		Crippen Calculated Property
logPoct/wat	4.978		Crippen Calculated Property
McVol	209.470	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[1960.50; 1960.50]
Inp	1960.50		NIST
Inp	1960.50		NIST
Tboil	741.26	K	Joback Calculated Property
Tc	969.54	K	Joback Calculated Property
Tfus	449.15	K	Joback Calculated Property
Vc	0.811	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.97; 603.64]	J/mol×K	[741.26; 969.54]
Cp,gas	543.97	J/mol×K	741.26	Joback Calculated Property
Cp,gas	556.22	J/mol×K	779.31	Joback Calculated Property
Cp,gas	567.43	J/mol×K	817.35	Joback Calculated Property
Cp,gas	577.70	J/mol×K	855.40	Joback Calculated Property
Cp,gas	587.09	J/mol×K	893.45	Joback Calculated Property
Cp,gas	595.71	J/mol×K	931.49	Joback Calculated Property
Cp,gas	603.64	J/mol×K	969.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylcinnamic acid, 2-chlorophenyl ester.

Sources

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

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