Chemical Properties of (1aR,4aS,8aS)-4a,8,8-Trimethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene-2-carbaldehyde (CAS 470-41-7)

InChI

InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-11(10-16)12-9-15(12,13)14/h5,10,12H,4,6-9H2,1-3H3

InChI Key

CLNRASCYJGCDIN-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC1(C)CCCC2(C)CC=C(C=O)C3CC312

Molecular Weight¹

218.33

CAS

470-41-7

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	[526.78; 638.48]	J/mol×K	[620.21; 856.90]
Cp,gas	526.78	J/mol×K	620.21	Joback Calculated Property
Cp,gas	546.55	J/mol×K	659.66	Joback Calculated Property
Cp,gas	565.25	J/mol×K	699.11	Joback Calculated Property
Cp,gas	583.33	J/mol×K	738.56	Joback Calculated Property
Cp,gas	601.25	J/mol×K	778.01	Joback Calculated Property
Cp,gas	619.48	J/mol×K	817.45	Joback Calculated Property
Cp,gas	638.48	J/mol×K	856.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1aR,4aS,8aS)-4a,8,8-Trimethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene-2-carbaldehyde.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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