Chemical Properties of 1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane (CAS 7045-89-8)

InChI

InChI=1S/C10H18O3/c1-7(2)9(5)12-8(3,4)10(6,11-7)13-9/h1-6H3

InChI Key

VKNKFXJFQVTQKD-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

CC1(C)OC2(C)OC1(C)OC2(C)C

Molecular Weight¹

186.25

CAS

7045-89-8

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.08; 473.05]	J/mol×K	[518.42; 747.96]
Cp,gas	387.08	J/mol×K	518.42	Joback Calculated Property
Cp,gas	404.08	J/mol×K	556.68	Joback Calculated Property
Cp,gas	419.40	J/mol×K	594.93	Joback Calculated Property
Cp,gas	433.48	J/mol×K	633.19	Joback Calculated Property
Cp,gas	446.81	J/mol×K	671.45	Joback Calculated Property
Cp,gas	459.85	J/mol×K	709.70	Joback Calculated Property
Cp,gas	473.05	J/mol×K	747.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane.

Sources

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

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