Chemical Properties of 3-((1S,5S,6R)-2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)propanal (CAS 203499-08-5)

InChI

InChI=1S/C12H18O/c1-9-4-5-10-8-11(9)12(10,2)6-3-7-13/h4,7,10-11H,3,5-6,8H2,1-2H3

InChI Key

PIUJKRNONSPYOP-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC1=CCC2CC1C2(C)CCC=O

Molecular Weight¹

178.27

CAS

203499-08-5

• 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	[392.50; 481.15]	J/mol×K	[540.08; 747.77]
Cp,gas	392.50	J/mol×K	540.08	Joback Calculated Property
Cp,gas	409.64	J/mol×K	574.70	Joback Calculated Property
Cp,gas	425.65	J/mol×K	609.31	Joback Calculated Property
Cp,gas	440.67	J/mol×K	643.93	Joback Calculated Property
Cp,gas	454.84	J/mol×K	678.54	Joback Calculated Property
Cp,gas	468.29	J/mol×K	713.16	Joback Calculated Property
Cp,gas	481.15	J/mol×K	747.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-((1S,5S,6R)-2,6-Dimethylbicyclo[3.1.1]hept-2-en-6-yl)propanal.

Sources

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

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