Chemical Properties of N-Ethylpiperazine (CAS 5308-25-8)

InChI

InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3

InChI Key

WGCYRFWNGRMRJA-UHFFFAOYSA-N

Formula

C6H14N2

SMILES

CCN1CCNCC1

Molecular Weight¹

114.19

CAS

5308-25-8

Other Names

• 1-Ethyl-2,5-dihydropiperazine
• 1-Ethylpiperazine
• Piperazine, 1-ethyl-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• I : 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
ω	0.3641		Relay (1.0) Calculated Property
ΔfG°	179.59	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-24.39	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	54.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	0.97		Relay (1.0) Calculated Property
logPoct/wat	-0.088		Crippen Calculated Property
McVol	104.500	ml/mol	McGowan Calculated Property
Pc	3711.52	kPa	Relay (1.0-beta) Calculated Property
Inp	[934.00; 970.00]
Inp	944.00		NIST
Inp	936.00		NIST
Inp	934.00		NIST
Inp	970.00		NIST
Inp	944.00		NIST
Inp	970.00		NIST
I	[1332.00; 1370.00]
I	1366.00		NIST
I	Outlier 1332.00		NIST
I	1348.00		NIST
I	1360.00		NIST
I	1354.00		NIST
I	1370.00		NIST
I	1366.00		NIST
I	1370.00		NIST
Tboil	430.15 ± 2.00	K	NIST
Tc	636.42	K	Relay (1.0) Calculated Property
Tfus	246.20	K	Relay (1.0) Calculated Property
Vc	0.366	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[325.32; 455.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55490e+01
Coefficient B			-4.03799e+03
Coefficient C			-6.07320e+01
Temperature range, min.			325.32
Temperature range, max.			455.16
Pvap	1.33	kPa	325.32	Calculated Property
Pvap	2.93	kPa	339.75	Calculated Property
Pvap	5.98	kPa	354.17	Calculated Property
Pvap	11.39	kPa	368.60	Calculated Property
Pvap	20.49	kPa	383.03	Calculated Property
Pvap	35.06	kPa	397.45	Calculated Property
Pvap	57.37	kPa	411.88	Calculated Property
Pvap	90.32	kPa	426.31	Calculated Property
Pvap	137.38	kPa	440.73	Calculated Property
Pvap	202.64	kPa	455.16	Calculated Property

Similar Compounds

Find more compounds similar to N-Ethylpiperazine.

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

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