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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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