Chemical Properties of (1R,3aS,4R,7R,8aR)-1,4-Dimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene (CAS 394217-22-2)

InChI

InChI=1S/C14H22/c1-10-3-4-13-12(10)9-11-5-7-14(13,2)8-6-11/h5,7,10-13H,3-4,6,8-9H2,1-2H3

InChI Key

CFEBVBFXLFAFIO-UHFFFAOYSA-N

Formula

C14H22

SMILES

CC1CCC2C1CC1C=CC2(C)CC1

Molecular Weight¹

190.32

CAS

394217-22-2

• 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	[453.06; 577.27]	J/mol×K	[542.81; 770.33]
Cp,gas	453.06	J/mol×K	542.81	Joback Calculated Property
Cp,gas	477.46	J/mol×K	580.73	Joback Calculated Property
Cp,gas	500.11	J/mol×K	618.65	Joback Calculated Property
Cp,gas	521.22	J/mol×K	656.57	Joback Calculated Property
Cp,gas	540.98	J/mol×K	694.49	Joback Calculated Property
Cp,gas	559.60	J/mol×K	732.41	Joback Calculated Property
Cp,gas	577.27	J/mol×K	770.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,3aS,4R,7R,8aR)-1,4-Dimethyl-1,2,3,3a,4,7,8,8a-octahydro-4,7-ethanoazulene.

Sources

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

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