Chemical Properties of Perfluoromethyldiethylamine (CAS 758-48-5)

InChI

InChI=1S/C5F13N/c6-1(7,8)3(12,13)19(5(16,17)18)4(14,15)2(9,10)11

InChI Key

KMPITNDOTGKQSE-UHFFFAOYSA-N

Formula

C5F13N

SMILES

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

Molecular Weight¹

321.04

CAS

758-48-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-2730.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.70	kJ/mol	Joback Calculated Property
ΔvapH°	29.40 ± 0.40	kJ/mol	NIST
IE	11.84	eV	Relay (1.0) Calculated Property
logPoct/wat	4.118		Crippen Calculated Property
McVol	114.300	ml/mol	McGowan Calculated Property
S°liquid	475.09	J/mol×K	NIST
Tboil	327.97	K	Relay (1.0) Calculated Property
Tfus	150.10 ± 0.20	K	NIST
Ttriple	[149.64; 149.64]	K
Ttriple	149.64 ± 0.02	K	NIST
Ttriple	149.64 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[245.55; 307.09]	J/mol×K	[300.80; 409.82]
Cp,gas	245.55	J/mol×K	300.80	Joback Calculated Property
Cp,gas	257.29	J/mol×K	318.97	Joback Calculated Property
Cp,gas	268.41	J/mol×K	337.14	Joback Calculated Property
Cp,gas	278.94	J/mol×K	355.31	Joback Calculated Property
Cp,gas	288.88	J/mol×K	373.48	Joback Calculated Property
Cp,gas	298.26	J/mol×K	391.65	Joback Calculated Property
Cp,gas	307.09	J/mol×K	409.82	Joback Calculated Property
Cp,liquid	337.46	J/mol×K	298.15	NIST
ΔfusH	[4.60; 7.16]	kJ/mol	[149.70; 150.10]
ΔfusH	7.16	kJ/mol	149.70	NIST
ΔfusH	4.60	kJ/mol	150.10	NIST
ΔfusS	30.60	J/mol×K	150.10	NIST

Similar Compounds

Find more compounds similar to Perfluoromethyldiethylamine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.