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

InChI

InChI=1S/C16H10F3NO4/c17-16(18,19)12-3-1-2-11(10-12)4-9-15(21)24-14-7-5-13(6-8-14)20(22)23/h1-10H/b9-4+

InChI Key

DLCRQNMBWOSQJF-RUDMXATFSA-N

Formula

C16H10F3NO4

SMILES

O=C(C=Cc1cccc(C(F)(F)F)c1)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

337.25

• 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°	-410.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-658.87	kJ/mol	Joback Calculated Property
ΔfusH°	40.68	kJ/mol	Joback Calculated Property
ΔvapH°	79.04	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen Calculated Property
logPoct/wat	4.232		Crippen Calculated Property
McVol	214.650	ml/mol	McGowan Calculated Property
Pc	2208.29	kPa	Joback Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST
Tboil	855.67	K	Joback Calculated Property
Tc	1098.95	K	Joback Calculated Property
Tfus	562.84	K	Joback Calculated Property
Vc	0.845	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[613.87; 665.18]	J/mol×K	[855.67; 1098.95]
Cp,gas	613.87	J/mol×K	855.67	Joback Calculated Property
Cp,gas	624.49	J/mol×K	896.22	Joback Calculated Property
Cp,gas	634.14	J/mol×K	936.76	Joback Calculated Property
Cp,gas	642.92	J/mol×K	977.31	Joback Calculated Property
Cp,gas	650.95	J/mol×K	1017.86	Joback Calculated Property
Cp,gas	658.33	J/mol×K	1058.40	Joback Calculated Property
Cp,gas	665.18	J/mol×K	1098.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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