Chemical Properties of Perfluoro(dibutylmethylamine) (CAS 514-03-4)

InChI

InChI=1S/C9F21N/c10-1(11,5(18,19)20)3(14,15)7(24,25)31(9(28,29)30)8(26,27)4(16,17)2(12,13)6(21,22)23

InChI Key

PSJKAILWKIKKNU-UHFFFAOYSA-N

Formula

C9F21N

SMILES

FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

521.07

CAS

514-03-4

Other Names

• Perfluoro-N-methyl-N,N-dibutylamine

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	0.5952		Relay (1.0) Calculated Property
ΔfG°	-3929.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-4375.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.04	kJ/mol	Joback Calculated Property
ΔvapH°	[48.20; 48.80]	kJ/mol
ΔvapH°	48.80 ± 0.80	kJ/mol	NIST
ΔvapH°	48.20 ± 0.10	kJ/mol	NIST
IE	11.50	eV	Relay (1.0) Calculated Property
logPoct/wat	6.660		Crippen Calculated Property
McVol	184.820	ml/mol	McGowan Calculated Property
Pc	1224.27	kPa	Joback Calculated Property
Tboil	408.33	K	Relay (1.0) Calculated Property
Tc	491.18	K	Relay (1.0) Calculated Property
Tfus	204.04	K	Relay (1.0) Calculated Property
Vc	0.833	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.55; 552.86]	J/mol×K	[373.56; 474.57]
Cp,gas	476.55	J/mol×K	373.56	Joback Calculated Property
Cp,gas	491.19	J/mol×K	390.40	Joback Calculated Property
Cp,gas	505.03	J/mol×K	407.23	Joback Calculated Property
Cp,gas	518.09	J/mol×K	424.07	Joback Calculated Property
Cp,gas	530.39	J/mol×K	440.90	Joback Calculated Property
Cp,gas	541.98	J/mol×K	457.74	Joback Calculated Property
Cp,gas	552.86	J/mol×K	474.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perfluoro(dibutylmethylamine).

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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