Chemical Properties of Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-ethylhexyl)-

InChI

InChI=1S/C16H22F3NO2/c1-4-6-7-10(5-2)9-20-16(21)11-8-12(17)14(19)15(22-3)13(11)18/h8,10H,4-7,9H2,1-3H3,(H,20,21)

InChI Key

XALOYQDUWHNKMB-UHFFFAOYSA-N

Formula

C16H22F3NO2

SMILES

CCCCC(CC)CNC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

317.35

• 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°	-573.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-967.86	kJ/mol	Joback Calculated Property
ΔfusH°	43.28	kJ/mol	Joback Calculated Property
ΔvapH°	68.89	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	4.059		Crippen Calculated Property
McVol	235.270	ml/mol	McGowan Calculated Property
Pc	1536.66	kPa	Joback Calculated Property
Inp	[2037.00; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Tboil	735.91	K	Joback Calculated Property
Tc	920.60	K	Joback Calculated Property
Tfus	458.17	K	Joback Calculated Property
Vc	0.930	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.95; 755.97]	J/mol×K	[735.91; 920.60]
Cp,gas	679.95	J/mol×K	735.91	Joback Calculated Property
Cp,gas	694.59	J/mol×K	766.69	Joback Calculated Property
Cp,gas	708.43	J/mol×K	797.47	Joback Calculated Property
Cp,gas	721.47	J/mol×K	828.25	Joback Calculated Property
Cp,gas	733.73	J/mol×K	859.04	Joback Calculated Property
Cp,gas	745.23	J/mol×K	889.82	Joback Calculated Property
Cp,gas	755.97	J/mol×K	920.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 2,4,5-trifluoro-3-methoxy-N-(2-ethylhexyl)-.

Sources

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

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