Chemical Properties of 1,2,4,5,7,8-hexaoxacyclononane, 3,3,6,6,9,9-hexaethyl

InChI

InChI=1S/C15H30O6/c1-7-13(8-2)16-18-14(9-3,10-4)20-21-15(11-5,12-6)19-17-13/h7-12H2,1-6H3

InChI Key

WYEDBMPUQDXWEF-UHFFFAOYSA-N

Formula

C15H30O6

SMILES

CCC1(CC)OOC(CC)(CC)OOC(CC)(CC)OO1

Molecular Weight¹

306.40

• 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).
• 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).
• I_np : Non-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
ΔfG°	-485.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1104.05	kJ/mol	Joback Calculated Property
ΔfusH°	51.26	kJ/mol	Joback Calculated Property
ΔvapH°	72.92	kJ/mol	Joback Calculated Property
log10WS	-5.31		Crippen Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	246.570	ml/mol	McGowan Calculated Property
Pc	1790.91	kPa	Joback Calculated Property
Inp	[1544.20; 1572.60]
Inp	1568.90		NIST
Inp	1569.50		NIST
Inp	1568.90		NIST
Inp	Outlier 1544.20		NIST
Inp	1564.60		NIST
Inp	1569.70		NIST
Inp	1572.60		NIST
Inp	1569.50		NIST
Inp	1569.20		NIST
Tboil	728.04	K	Joback Calculated Property
Tc	943.80	K	Joback Calculated Property
Tfus	478.27	K	Joback Calculated Property
Vc	0.902	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[771.92; 899.77]	J/mol×K	[728.04; 943.80]
Cp,gas	771.92	J/mol×K	728.04	Joback Calculated Property
Cp,gas	793.30	J/mol×K	764.00	Joback Calculated Property
Cp,gas	814.34	J/mol×K	799.96	Joback Calculated Property
Cp,gas	835.25	J/mol×K	835.92	Joback Calculated Property
Cp,gas	856.30	J/mol×K	871.88	Joback Calculated Property
Cp,gas	877.73	J/mol×K	907.84	Joback Calculated Property
Cp,gas	899.77	J/mol×K	943.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5,7,8-hexaoxacyclononane, 3,3,6,6,9,9-hexaethyl.

Sources

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

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