Chemical Properties of 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-, (1S)- (CAS 28401-39-0)

InChI

InChI=1S/C8H14O2/c1-7-4-3-5-8(2,10-7)9-6-7/h3-6H2,1-2H3

InChI Key

AZWKCIZRVUVZPX-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

CC12CCCC(C)(OC1)O2

Molecular Weight¹

142.20

CAS

28401-39-0

Other Names

• (-)-Frontalin
• (S)-(-)-Frontalin
• (1S)-1,5-Dimethyl-6,8-dioxabicyclo[3.2.1]octane
• Frontalin
• 6,8-Dioxabicyclo(3.2.1)octane, 1,5-dimethyl-
• 1,5-Dimethyl-6,8-dioxabicyclo(3.2.1)octane
• (-)-(1S,5R)-Frontalin
• Frontaline

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[264.03; 347.50]	J/mol×K	[458.84; 687.32]
Cp,gas	264.03	J/mol×K	458.84	Joback Calculated Property
Cp,gas	281.42	J/mol×K	496.92	Joback Calculated Property
Cp,gas	297.06	J/mol×K	535.00	Joback Calculated Property
Cp,gas	311.23	J/mol×K	573.08	Joback Calculated Property
Cp,gas	324.18	J/mol×K	611.16	Joback Calculated Property
Cp,gas	336.18	J/mol×K	649.24	Joback Calculated Property
Cp,gas	347.50	J/mol×K	687.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-, (1S)-.

Sources

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

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