Chemical Properties of Formamide, N,N-diethyl- (CAS 617-84-5)

InChI

InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3

InChI Key

SUAKHGWARZSWIH-UHFFFAOYSA-N

Formula

C5H11NO

SMILES

CCN(C=O)CC

Molecular Weight¹

101.15

CAS

617-84-5

Other Names

• Diethylamid kyseliny mravenci
• N,N-diethylformamide
• N-formyldiethylamine
• diethylformamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.02	kJ/mol	Joback Calculated Property
ΔvapH°	50.30	kJ/mol	NIST
IE	8.89 ± 0.02	eV	NIST
logPoct/wat	0.485		Crippen Calculated Property
McVol	92.860	ml/mol	McGowan Calculated Property
Inp	[895.00; 930.00]
Inp	912.00		NIST
Inp	912.00		NIST
Inp	930.00		NIST
Inp	895.00		NIST
Inp	930.00		NIST
I	[1413.00; 1413.00]
I	1413.00		NIST
I	1413.00		NIST
Tboil	450.70	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[170.14; 222.50]	J/mol×K	[374.90; 546.52]
Cp,gas	170.14	J/mol×K	374.90	Joback Calculated Property
Cp,gas	179.86	J/mol×K	403.50	Joback Calculated Property
Cp,gas	189.17	J/mol×K	432.11	Joback Calculated Property
Cp,gas	198.07	J/mol×K	460.71	Joback Calculated Property
Cp,gas	206.59	J/mol×K	489.31	Joback Calculated Property
Cp,gas	214.73	J/mol×K	517.91	Joback Calculated Property
Cp,gas	222.50	J/mol×K	546.52	Joback Calculated Property
ΔvapH	48.90	kJ/mol	333.00	NIST
Pvap	[0.08; 4.16]	kPa	[288.80; 356.10]
Pvap	0.08	kPa	288.80	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.10	kPa	292.20	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.12	kPa	295.10	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.17	kPa	300.50	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.17	kPa	300.70	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.21	kPa	303.70	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.25	kPa	305.70	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.33	kPa	310.70	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.46	kPa	315.70	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.63	kPa	320.80	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.71	kPa	323.20	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	0.85	kPa	325.80	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	1.09	kPa	330.90	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	1.48	kPa	335.90	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	1.73	kPa	338.50	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	1.95	kPa	340.90	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	2.46	kPa	346.00	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	2.89	kPa	348.50	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	3.21	kPa	350.90	Vapour pressures and enthalpies of vaporisation of alkyl formamides
Pvap	4.16	kPa	356.10	Vapour pressures and enthalpies of vaporisation of alkyl formamides

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[338.52; 477.78]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51271e+01
Coefficient B			-4.03766e+03
Coefficient C			-6.64310e+01
Temperature range, min.			338.52
Temperature range, max.			477.78
Pvap	1.33	kPa	338.52	Calculated Property
Pvap	2.96	kPa	353.99	Calculated Property
Pvap	6.07	kPa	369.47	Calculated Property
Pvap	11.59	kPa	384.94	Calculated Property
Pvap	20.86	kPa	400.41	Calculated Property
Pvap	35.62	kPa	415.89	Calculated Property
Pvap	58.14	kPa	431.36	Calculated Property
Pvap	91.19	kPa	446.83	Calculated Property
Pvap	138.07	kPa	462.31	Calculated Property
Pvap	202.64	kPa	477.78	Calculated Property

Similar Compounds

Find more compounds similar to Formamide, N,N-diethyl-.

Mixtures

• Formamide, N,N-diethyl- + Ethene-1,1-diamine, 2,2-dinitro-
• Formamide, N,N-diethyl- + sodium chloride + Water
• potassium chloride + Formamide, N,N-diethyl- + Water
• Rubidium chloride + Formamide, N,N-diethyl- + Water
• Formamide, N,N-diethyl- + caesium chloride + Water
• Formamide, N,N-diethyl- + sodium chloride
• potassium chloride + Formamide, N,N-diethyl-
• Rubidium chloride + Formamide, N,N-diethyl-
• Formamide, N,N-diethyl- + caesium chloride
• Formamide, N,N-diethyl- + Water

Sources

• 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
• Solubility of 1,1-diamino-2,2-dinitroethylene in different pure solvents and binary mixtures (dimethyl sulfoxide p water) and (N,N-dimethylformamide p water) at different temperatures
• Vapour pressures and enthalpies of vaporisation of alkyl formamides
• Enthalpies of solution of DL- -Alanyl-DL- -Valine in aqueous solution of amides at 298.15K
• Enthalpies of solution of diglycylglycine in aqueous solution of amides at 298.15 K
• Measurement and Correlation of Solubilities and Solution Thermodynamics for N,N-Diethylformamide + MCl (M = Na, K, Rb and Cs) + Water Systems in the Temperature Range 288.15-338.15 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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