Chemical Properties of 12-Crown-4 (CAS 294-93-9)

InChI

InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

InChI Key

XQQZRZQVBFHBHL-UHFFFAOYSA-N

Formula

C8H16O4

SMILES

C1COCCOCCOCCO1

Molecular Weight¹

176.21

CAS

294-93-9

Other Names

• 1,4,7,10-tetraoxacyclododecane
• 12-crown-4 ether
• Eoct
• Ethylene oxide cyclic tetramer

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion 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
PAff	927.20	kJ/mol	NIST
BasG	890.50	kJ/mol	NIST
ΔcH°liquid	-4738.10 ± 1.70	kJ/mol	NIST
ΔfG°	-368.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.10 ± 2.10	kJ/mol	NIST
ΔfH°liquid	-696.80 ± 2.10	kJ/mol	NIST
ΔfusH°	26.56	kJ/mol	Joback Calculated Property
ΔvapH°	[65.60; 65.70]	kJ/mol
ΔvapH°	65.70 ± 3.70	kJ/mol	NIST
ΔvapH°	65.65 ± 0.37	kJ/mol	NIST
ΔvapH°	65.70	kJ/mol	NIST
ΔvapH°	65.60 ± 0.40	kJ/mol	NIST
IE	[8.80; 9.30]	eV
IE	8.80	eV	NIST
IE	9.30	eV	NIST
IE	9.30	eV	NIST
log10WS	0.58		Crippen Calculated Property
logPoct/wat	0.066		Crippen Calculated Property
McVol	136.200	ml/mol	McGowan Calculated Property
Pc	3745.38	kPa	Joback Calculated Property
Tboil	540.08	K	Joback Calculated Property
Tc	788.65	K	Joback Calculated Property
Tfus	289.00	K	Static ...
Vc	0.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.89; 449.00]	J/mol×K	[540.08; 788.65]
Cp,gas	340.89	J/mol×K	540.08	Joback Calculated Property
Cp,gas	362.26	J/mol×K	581.51	Joback Calculated Property
Cp,gas	382.34	J/mol×K	622.94	Joback Calculated Property
Cp,gas	401.09	J/mol×K	664.36	Joback Calculated Property
Cp,gas	418.48	J/mol×K	705.79	Joback Calculated Property
Cp,gas	434.46	J/mol×K	747.22	Joback Calculated Property
Cp,gas	449.00	J/mol×K	788.65	Joback Calculated Property
η	[0.0000736; 0.0436594]	Pa×s	[276.70; 540.08]
η	0.0436594	Pa×s	276.70	Joback Calculated Property
η	0.0072676	Pa×s	320.60	Joback Calculated Property
η	0.0018632	Pa×s	364.49	Joback Calculated Property
η	0.0006401	Pa×s	408.39	Joback Calculated Property
η	0.0002705	Pa×s	452.29	Joback Calculated Property
η	0.0001332	Pa×s	496.18	Joback Calculated Property
η	0.0000736	Pa×s	540.08	Joback Calculated Property
ΔfusH	22.46	kJ/mol	290.70	NIST

Similar Compounds

Find more compounds similar to 12-Crown-4.

Mixtures

• lithium bromide + 12-Crown-4 + Water

Sources

• Crippen Method
• Crippen Method
• The experimental study on the influence of crown ethers and glycols on the mutual solubility of lithium bromide in water
• Static Dielectric Permittivity of Homologous Series of Liquid Cyclic Ethers, 3n-Crown-n, n = 4 to 6
• Joback Method
• McGowan Method
• NIST Webbook

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