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

InChI

InChI=1S/C13H26O6/c1-7-12(8-2)16-14-11(5,6)15-17-13(9-3,10-4)19-18-12/h7-10H2,1-6H3

InChI Key

QSXXZBOBWQYNFW-UHFFFAOYSA-N

Formula

C13H26O6

SMILES

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

Molecular Weight¹

278.34

• 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).
• 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
ω	0.5776		Relay (1.0) Calculated Property
ΔfG°	-501.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-815.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.08	kJ/mol	Joback Calculated Property
ΔvapH°	73.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.32		Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	218.390	ml/mol	McGowan Calculated Property
Pc	2121.68	kPa	Joback Calculated Property
Inp	[1404.80; 1421.70]
Inp	1404.80		NIST
Inp	1410.30		NIST
Inp	1413.90		NIST
Inp	1418.00		NIST
Inp	1420.90		NIST
Inp	1418.40		NIST
Inp	1421.70		NIST
Inp	1404.80		NIST
Inp	1418.40		NIST
Tboil	529.79	K	Relay (1.0) Calculated Property
Tc	686.54	K	Relay (1.0) Calculated Property
Tfus	315.85	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.08; 777.38]	J/mol×K	[682.28; 905.05]
Cp,gas	659.08	J/mol×K	682.28	Joback Calculated Property
Cp,gas	679.28	J/mol×K	719.41	Joback Calculated Property
Cp,gas	698.95	J/mol×K	756.54	Joback Calculated Property
Cp,gas	718.33	J/mol×K	793.67	Joback Calculated Property
Cp,gas	737.69	J/mol×K	830.80	Joback Calculated Property
Cp,gas	757.29	J/mol×K	867.93	Joback Calculated Property
Cp,gas	777.38	J/mol×K	905.05	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.