Chemical Properties of 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane (CAS 23978-55-4)

InChI

InChI=1S/C12H26N2O4/c1-5-15-9-10-17-7-3-14-4-8-18-12-11-16-6-2-13-1/h13-14H,1-12H2

InChI Key

NLMDJJTUQPXZFG-UHFFFAOYSA-N

Formula

C12H26N2O4

SMILES

C1COCCOCCNCCOCCOCCN1

Molecular Weight¹

262.35

CAS

23978-55-4

Other Names

• 4,7,13,16-Tetraoxa-1,10-diazacyclooctadecane
• 1,10-Diaza-18-crown-6
• Kryptofix 22
• Diaza-18-crown-6
• Kryptofix[2.2]
• 1,7,10,16-Tetraoxa-4,13-diazacyclooctadecane
• 1,10-Diaza-4,7,13,16-tetraoxacyclooctadecane
• 7,16-Diaza-18-crown-6
• Cryptand 22
• NSC 339325

• 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).
• 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
ΔfG°	-231.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.65	kJ/mol	Joback Calculated Property
ΔfusH°	43.50	kJ/mol	Joback Calculated Property
ΔvapH°	76.66	kJ/mol	Joback Calculated Property
IE	[8.00; 8.40]	eV
IE	8.00	eV	NIST
IE	8.40	eV	NIST
log10WS	0.53		Crippen Calculated Property
logPoct/wat	-0.754		Crippen Calculated Property
McVol	212.520	ml/mol	McGowan Calculated Property
Pc	3025.61	kPa	Joback Calculated Property
Tboil	754.32	K	Joback Calculated Property
Tc	1035.56	K	Joback Calculated Property
Tfus	510.72	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.26; 784.84]	J/mol×K	[754.32; 1035.56]
Cp,gas	678.26	J/mol×K	754.32	Joback Calculated Property
Cp,gas	704.63	J/mol×K	801.19	Joback Calculated Property
Cp,gas	727.79	J/mol×K	848.07	Joback Calculated Property
Cp,gas	747.58	J/mol×K	894.94	Joback Calculated Property
Cp,gas	763.80	J/mol×K	941.81	Joback Calculated Property
Cp,gas	776.28	J/mol×K	988.68	Joback Calculated Property
Cp,gas	784.84	J/mol×K	1035.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane.

Sources

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

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