Chemical Properties of 1-Propanamine, N,N-diethyl- (CAS 4458-31-5)

InChI

InChI=1S/C7H17N/c1-4-7-8(5-2)6-3/h4-7H2,1-3H3

InChI Key

PQZTVWVYCLIIJY-UHFFFAOYSA-N

Formula

C7H17N

SMILES

CCCN(CC)CC

Molecular Weight¹

115.22

CAS

4458-31-5

Other Names

• (C2H5)2(n-C3H7)N
• Diethyl-n-propylamine
• Diethylpropylamine
• Ethanamine, N-ethyl-N-propyl-
• N,N-Diethyl-n-propylamine
• N-(n-Propyl)diethylamine
• Propylamine, N,N-diethyl-
• n-Propanamine, N,N-diethyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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
PAff	978.80	kJ/mol	NIST
BasG	947.90	kJ/mol	NIST
ΔfG°	118.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-120.28	kJ/mol	Joback Calculated Property
ΔfusH°	16.91	kJ/mol	Joback Calculated Property
ΔvapH°	33.22	kJ/mol	Joback Calculated Property
IE	7.70	eV	NIST
log10WS	-1.32		Crippen Calculated Property
logPoct/wat	1.738		Crippen Calculated Property
McVol	119.470	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[750.00; 753.00]
Inp	Outlier 753.00		NIST
Inp	751.00		NIST
Inp	751.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Tboil	[385.20; 404.15]	K
Tboil	385.20 ± 1.00	K	NIST
Tboil	404.15 ± 2.00	K	NIST
Tc	534.55	K	Joback Calculated Property
Tfus	201.12	K	Joback Calculated Property
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.39; 292.14]	J/mol×K	[372.00; 534.55]
Cp,gas	221.39	J/mol×K	372.00	Joback Calculated Property
Cp,gas	234.38	J/mol×K	399.09	Joback Calculated Property
Cp,gas	246.88	J/mol×K	426.18	Joback Calculated Property
Cp,gas	258.89	J/mol×K	453.28	Joback Calculated Property
Cp,gas	270.43	J/mol×K	480.37	Joback Calculated Property
Cp,gas	281.51	J/mol×K	507.46	Joback Calculated Property
Cp,gas	292.14	J/mol×K	534.55	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[290.12; 407.82]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56364e+01
Coefficient B			-3.71285e+03
Coefficient C			-4.82220e+01
Temperature range, min.			290.12
Temperature range, max.			407.82
Pvap	1.33	kPa	290.12	Calculated Property
Pvap	2.93	kPa	303.20	Calculated Property
Pvap	5.96	kPa	316.28	Calculated Property
Pvap	11.35	kPa	329.35	Calculated Property
Pvap	20.42	kPa	342.43	Calculated Property
Pvap	34.94	kPa	355.51	Calculated Property
Pvap	57.22	kPa	368.59	Calculated Property
Pvap	90.15	kPa	381.66	Calculated Property
Pvap	137.24	kPa	394.74	Calculated Property
Pvap	202.64	kPa	407.82	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanamine, N,N-diethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.