Chemical Properties of 2,4,5-Trifluoro-3-methoxybenzamide, N-pentyl-

InChI

InChI=1S/C13H16F3NO2/c1-3-4-5-6-17-13(18)8-7-9(14)11(16)12(19-2)10(8)15/h7H,3-6H2,1-2H3,(H,17,18)

InChI Key

GHACOAOPPXZYQQ-UHFFFAOYSA-N

Formula

C13H16F3NO2

SMILES

CCCCCNC(=O)c1cc(F)c(F)c(OC)c1F

Molecular Weight¹

275.27

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7479		Relay (1.0) Calculated Property
ΔfG°	-596.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.04	kJ/mol	Joback Calculated Property
ΔvapH°	79.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.032		Crippen Calculated Property
McVol	193.000	ml/mol	McGowan Calculated Property
Pc	1938.95	kPa	Joback Calculated Property
Inp	[1866.00; 1866.00]
Inp	1866.00		NIST
Inp	1866.00		NIST
Tboil	565.07	K	Relay (1.0) Calculated Property
Tc	784.48	K	Relay (1.0) Calculated Property
Tfus	340.72	K	Relay (1.0) Calculated Property
Vc	0.712	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.46; 586.50]	J/mol×K	[667.71; 851.78]
Cp,gas	518.46	J/mol×K	667.71	Joback Calculated Property
Cp,gas	531.41	J/mol×K	698.39	Joback Calculated Property
Cp,gas	543.70	J/mol×K	729.07	Joback Calculated Property
Cp,gas	555.35	J/mol×K	759.74	Joback Calculated Property
Cp,gas	566.37	J/mol×K	790.42	Joback Calculated Property
Cp,gas	576.75	J/mol×K	821.10	Joback Calculated Property
Cp,gas	586.50	J/mol×K	851.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluoro-3-methoxybenzamide, N-pentyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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