Chemical Properties of [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one (CAS 14575-93-0)

InChI

InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8?/m0/s1

InChI Key

MQPHVIPKLRXGDJ-WPZUCAASSA-N

Formula

C10H16O

SMILES

CC1C(=O)CC2CC1C2(C)C

Molecular Weight¹

152.23

CAS

14575-93-0

Other Names

• Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, [1s-(1«alpha»,2«beta»,5«alpha»)]-

• 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	[324.94; 422.45]	J/mol×K	[504.67; 727.60]
Cp,gas	324.94	J/mol×K	504.67	Joback Calculated Property
Cp,gas	343.76	J/mol×K	541.83	Joback Calculated Property
Cp,gas	361.40	J/mol×K	578.98	Joback Calculated Property
Cp,gas	377.96	J/mol×K	616.14	Joback Calculated Property
Cp,gas	393.57	J/mol×K	653.29	Joback Calculated Property
Cp,gas	408.36	J/mol×K	690.45	Joback Calculated Property
Cp,gas	422.45	J/mol×K	727.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1S-(1«alpha»,2«beta»,5«alpha»)]-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one.

Sources

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

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