Chemical Properties of 1,2,4,5-tetraoxacyclohexane, 3,6-dimethyl, 3,6-di-tertbutyl

InChI

InChI=1S/C12H24O4/c1-9(2,3)11(7)13-15-12(8,16-14-11)10(4,5)6/h1-8H3

InChI Key

WKHNLQSJDUNPBS-UHFFFAOYSA-N

Formula

C12H24O4

SMILES

CC(C)(C)C1(C)OOC(C)(C(C)(C)C)OO1

Molecular Weight¹

232.32

• 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°	-282.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-772.05	kJ/mol	Joback Calculated Property
ΔfusH°	24.23	kJ/mol	Joback Calculated Property
ΔvapH°	55.57	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	3.421		Crippen Calculated Property
McVol	192.560	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[1331.20; 1355.40]
Inp	1335.10		NIST
Inp	1331.20		NIST
Inp	1333.50		NIST
Inp	1347.20		NIST
Inp	1355.40		NIST
Inp	1340.40		NIST
Inp	1342.80		NIST
Tboil	590.66	K	Joback Calculated Property
Tc	818.64	K	Joback Calculated Property
Tfus	387.06	K	Joback Calculated Property
Vc	0.698	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.26; 644.70]	J/mol×K	[590.66; 818.64]
Cp,gas	539.26	J/mol×K	590.66	Joback Calculated Property
Cp,gas	559.30	J/mol×K	628.66	Joback Calculated Property
Cp,gas	577.99	J/mol×K	666.65	Joback Calculated Property
Cp,gas	595.60	J/mol×K	704.65	Joback Calculated Property
Cp,gas	612.41	J/mol×K	742.65	Joback Calculated Property
Cp,gas	628.69	J/mol×K	780.65	Joback Calculated Property
Cp,gas	644.70	J/mol×K	818.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-tetraoxacyclohexane, 3,6-dimethyl, 3,6-di-tertbutyl.

Sources

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

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