Chemical Properties of Homopiperazine (CAS 505-66-8)

InChI

InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2

InChI Key

FQUYSHZXSKYCSY-UHFFFAOYSA-N

Formula

C5H12N2

SMILES

C1CNCCNC1

Molecular Weight¹

100.16

CAS

505-66-8

Other Names

• 1,4-Diazacycloheptane
• 1H-1,4-Diazepine, hexahydro-
• Hexahydro-1,4-diazepine
• Trimethyleneethylenediamine
• perhydro-1,4-diazepine

• 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).
• 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 : 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	0.3801		Relay (1.0) Calculated Property
ΔfG°	186.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-14.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.55	kJ/mol	Joback Calculated Property
ΔvapH°	62.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	1.05		Relay (1.0) Calculated Property
logPoct/wat	-0.431		Crippen Calculated Property
McVol	90.410	ml/mol	McGowan Calculated Property
Pc	5213.15	kPa	Joback Calculated Property
I	1525.00		NIST
Tboil	[442.20; 442.25]	K
Tboil	442.20	K	NIST
Tboil	442.25	K	NIST
Tc	664.23	K	Relay (1.0) Calculated Property
Tfus	310.27	K	Relay (1.0) Calculated Property
Vc	0.313	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.49; 252.44]	J/mol×K	[439.39; 674.36]
Cp,gas	172.49	J/mol×K	439.39	Joback Calculated Property
Cp,gas	187.60	J/mol×K	478.55	Joback Calculated Property
Cp,gas	201.99	J/mol×K	517.71	Joback Calculated Property
Cp,gas	215.68	J/mol×K	556.88	Joback Calculated Property
Cp,gas	228.65	J/mol×K	596.04	Joback Calculated Property
Cp,gas	240.91	J/mol×K	635.20	Joback Calculated Property
Cp,gas	252.44	J/mol×K	674.36	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.39; 202.67]	kPa	[314.65; 467.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55625e+01
Coefficient B			-4.13804e+03
Coefficient C			-6.40950e+01
Temperature range, min.			314.65
Temperature range, max.			467.77
Pvap	0.39	kPa	314.65	Calculated Property
Pvap	1.10	kPa	331.66	Calculated Property
Pvap	2.78	kPa	348.68	Calculated Property
Pvap	6.31	kPa	365.69	Calculated Property
Pvap	13.13	kPa	382.70	Calculated Property
Pvap	25.36	kPa	399.72	Calculated Property
Pvap	45.97	kPa	416.73	Calculated Property
Pvap	78.88	kPa	433.74	Calculated Property
Pvap	129.09	kPa	450.76	Calculated Property
Pvap	202.67	kPa	467.77	Calculated Property

Similar Compounds

Find more compounds similar to Homopiperazine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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