Chemical Properties of 1,4,8,11-Tetraazacyclotetradecane (CAS 295-37-4)

InChI

InChI=1S/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2

InChI Key

MDAXKAUIABOHTD-UHFFFAOYSA-N

Formula

C10H24N4

SMILES

C1CNCCNCCCNCCNC1

Molecular Weight¹

200.32

CAS

295-37-4

Other Names

• Cyclam

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ΔcH°solid	-7249.00 ± 2.00	kJ/mol	NIST
ΔfG°	319.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-73.11	kJ/mol	Joback Calculated Property
ΔfH°solid	-116.00 ± 2.00	kJ/mol	NIST
ΔfusH°	33.98	kJ/mol	Joback Calculated Property
ΔvapH°	67.00	kJ/mol	Joback Calculated Property
IE	[7.80; 8.50]	eV
IE	7.80	eV	NIST
IE	8.50	eV	NIST
log10WS	-0.66		Crippen Calculated Property
logPoct/wat	-0.861		Crippen Calculated Property
McVol	180.820	ml/mol	McGowan Calculated Property
Pc	3718.02	kPa	Joback Calculated Property
Tboil	680.78	K	Joback Calculated Property
Tc	962.13	K	Joback Calculated Property
Tfus	606.04	K	Joback Calculated Property
Vc	0.614	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.71; 643.78]	J/mol×K	[680.78; 962.13]
Cp,gas	519.71	J/mol×K	680.78	Joback Calculated Property
Cp,gas	546.73	J/mol×K	727.67	Joback Calculated Property
Cp,gas	571.40	J/mol×K	774.56	Joback Calculated Property
Cp,gas	593.58	J/mol×K	821.45	Joback Calculated Property
Cp,gas	613.13	J/mol×K	868.35	Joback Calculated Property
Cp,gas	629.91	J/mol×K	915.24	Joback Calculated Property
Cp,gas	643.78	J/mol×K	962.13	Joback Calculated Property
Cp,solid	374.61	J/mol×K	298.15	NIST
ΔsubH	133.90 ± 2.50	kJ/mol	362.00	NIST

Similar Compounds

Find more compounds similar to 1,4,8,11-Tetraazacyclotetradecane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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