Chemical Properties of Benzenamine, 2,3,4,5,6-pentafluoro- (CAS 771-60-8)

InChI

InChI=1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

InChI Key

NOXLGCOSAFGMDV-UHFFFAOYSA-N

Formula

C6H2F5N

SMILES

Nc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

183.08

CAS

771-60-8

Other Names

• Aniline, 2,3,4,5,6-pentafluoro-
• Pentafluoroaniline
• Pentafluorophenylamine
• 2,3,4,5,6-Pentafluoroaniline
• Aminopentafluorobenzene
• 1-Amino-2,3,4,5,6-pentafluorobenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-843.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-934.75	kJ/mol	Joback Calculated Property
ΔfusH°	23.99	kJ/mol	Joback Calculated Property
ΔvapH°	41.09	kJ/mol	Joback Calculated Property
IE	[8.40; 8.90]	eV
IE	8.40 ± 0.02	eV	NIST
IE	8.60	eV	NIST
IE	8.90	eV	NIST
IE	8.90	eV	NIST
log10WS	-2.76		Crippen Calculated Property
logPoct/wat	1.964		Crippen Calculated Property
McVol	90.470	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
S°solid,1 bar	246.23	J/mol×K	NIST
Tboil	[426.00; 426.70]	K
Tboil	426.00	K	NIST
Tboil	426.70	K	NIST
Tc	638.12	K	Joback Calculated Property
Tfus	332.61	K	Joback Calculated Property
Ttriple	306.75 ± 0.03	K	NIST
Vc	0.383	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.58; 224.64]	J/mol×K	[457.14; 638.12]
Cp,gas	191.58	J/mol×K	457.14	Joback Calculated Property
Cp,gas	197.66	J/mol×K	487.30	Joback Calculated Property
Cp,gas	203.50	J/mol×K	517.47	Joback Calculated Property
Cp,gas	209.13	J/mol×K	547.63	Joback Calculated Property
Cp,gas	214.52	J/mol×K	577.80	Joback Calculated Property
Cp,gas	219.70	J/mol×K	607.96	Joback Calculated Property
Cp,gas	224.64	J/mol×K	638.12	Joback Calculated Property
Cp,solid	230.79	J/mol×K	298.15	NIST
ΔfusH	[3.94; 14.27]	kJ/mol	[287.40; 306.80]
ΔfusH	3.94	kJ/mol	287.40	NIST
ΔfusH	14.27	kJ/mol	306.80	NIST
ΔfusH	14.27	kJ/mol	306.80	NIST
ΔfusS	[13.71; 46.51]	J/mol×K	[287.40; 306.80]
ΔfusS	13.71	J/mol×K	287.40	NIST
ΔfusS	46.51	J/mol×K	306.80	NIST

Similar Compounds

Find more compounds similar to Benzenamine, 2,3,4,5,6-pentafluoro-.

Sources

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

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