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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4849		Relay (1.0) Calculated Property
ΔfG°	-843.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.99	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
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	619.68	K	Relay (1.0) Calculated Property
Tfus	318.79	K	Relay (1.0) Calculated Property
Ttriple	[306.75; 306.75]	K
Ttriple	306.75 ± 0.03	K	NIST
Ttriple	306.75 ± 0.03	K	NIST
Vc	0.339	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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