Chemical Properties of N-(3-Chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CAS 106376-36-7)

InChI

InChI=1S/C10H5ClF7NO/c11-5-2-1-3-6(4-5)19-7(20)8(12,13)9(14,15)10(16,17)18/h1-4H,(H,19,20)

InChI Key

UJBGCMKVPMWSOM-UHFFFAOYSA-N

Formula

C10H5ClF7NO

SMILES

O=C(Nc1cccc(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

323.60

CAS

106376-36-7

Other Names

• Butanamide, N-(3-chlorophenyl)-2,2,3,3,4,4,4-heptafluoro-

• 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	0.5375		Relay (... Calculated Property
ΔfG°	-1270.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1583.28	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.52	kJ/mol	Joback Calculated Property
ΔvapH°	71.23	kJ/mol	Relay (... Calculated Property
IE	9.10	eV	Relay (... Calculated Property
log10WS	-4.81		Relay (... Calculated Property
logPoct/wat	4.111		Crippen Calculated Property
McVol	164.180	ml/mol	McGowan Calculated Property
Pc	2309.17	kPa	Joback Calculated Property
Inp	[1322.00; 1332.00]
Inp	1332.00		NIST
Inp	1322.00		NIST
Inp	1332.00		NIST
Tboil	498.76	K	Relay (... Calculated Property
Tc	693.85	K	Relay (... Calculated Property
Tfus	305.74	K	Relay (... Calculated Property
Vc	0.582	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.45; 467.88]	J/mol×K	[586.53; 775.18]
Cp,gas	417.45	J/mol×K	586.53	Joback Calculated Property
Cp,gas	427.96	J/mol×K	617.97	Joback Calculated Property
Cp,gas	437.53	J/mol×K	649.41	Joback Calculated Property
Cp,gas	446.24	J/mol×K	680.86	Joback Calculated Property
Cp,gas	454.15	J/mol×K	712.30	Joback Calculated Property
Cp,gas	461.35	J/mol×K	743.74	Joback Calculated Property
Cp,gas	467.88	J/mol×K	775.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(3-Chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Sources

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

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