Chemical Properties of 3-Trifluoromethylcinnamic acid, 3,5-difluorophenyl ester

InChI

InChI=1S/C16H9F5O2/c17-12-7-13(18)9-14(8-12)23-15(22)5-4-10-2-1-3-11(6-10)16(19,20)21/h1-9H/b5-4+

InChI Key

FEPZWENAXZEKEM-SNAWJCMRSA-N

Formula

C16H9F5O2

SMILES

O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1cc(F)cc(F)c1

Molecular Weight¹

328.23

• 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°	-845.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1051.80	kJ/mol	Joback Calculated Property
ΔfusH°	35.09	kJ/mol	Joback Calculated Property
ΔvapH°	61.48	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	4.602		Crippen Calculated Property
McVol	200.770	ml/mol	McGowan Calculated Property
Pc	1984.12	kPa	Joback Calculated Property
Inp	[1840.60; 1840.60]
Inp	1840.60		NIST
Inp	1840.60		NIST
Tboil	707.35	K	Joback Calculated Property
Tc	915.82	K	Joback Calculated Property
Tfus	432.93	K	Joback Calculated Property
Vc	0.798	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[534.79; 595.12]	J/mol×K	[707.35; 915.82]
Cp,gas	534.79	J/mol×K	707.35	Joback Calculated Property
Cp,gas	546.96	J/mol×K	742.09	Joback Calculated Property
Cp,gas	558.21	J/mol×K	776.84	Joback Calculated Property
Cp,gas	568.59	J/mol×K	811.58	Joback Calculated Property
Cp,gas	578.16	J/mol×K	846.33	Joback Calculated Property
Cp,gas	586.98	J/mol×K	881.07	Joback Calculated Property
Cp,gas	595.12	J/mol×K	915.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Trifluoromethylcinnamic acid, 3,5-difluorophenyl ester.

Sources

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

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