Chemical Properties of 3-((1R,2S,4S)-2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)propanal (CAS 26927-59-3)

InChI

InChI=1S/C12H18O/c1-9-10-4-5-11(8-10)12(9,2)6-3-7-13/h7,10-11H,1,3-6,8H2,2H3

InChI Key

LWTMDKBJLLLBBC-UHFFFAOYSA-N

Formula

C12H18O

SMILES

C=C1C2CCC(C2)C1(C)CCC=O

Molecular Weight¹

178.27

CAS

26927-59-3

• 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	[391.40; 481.10]	J/mol×K	[535.10; 741.51]
Cp,gas	391.40	J/mol×K	535.10	Joback Calculated Property
Cp,gas	408.75	J/mol×K	569.50	Joback Calculated Property
Cp,gas	424.97	J/mol×K	603.90	Joback Calculated Property
Cp,gas	440.18	J/mol×K	638.31	Joback Calculated Property
Cp,gas	454.52	J/mol×K	672.71	Joback Calculated Property
Cp,gas	468.11	J/mol×K	707.11	Joback Calculated Property
Cp,gas	481.10	J/mol×K	741.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-((1R,2S,4S)-2-Methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)propanal.

Sources

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

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