Chemical Properties of 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, [R-(R*,R*)]- (CAS 16060-78-9)

InChI

InChI=1S/C16H24O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,9,12-13H,5-6,8,10H2,1-4H3

InChI Key

DEMNMQDWPCIOLA-UHFFFAOYSA-N

Formula

C16H24O3

SMILES

COC(=O)C1=CCC(C(C)CC(=O)C=C(C)C)CC1

Molecular Weight¹

264.36

CAS

16060-78-9

Other Names

• (+)-«delta»4'-Dehydrojuvabione
• Dehydrojuvabione
• Juvabione, dehydro-
• 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester

• 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	[650.55; 741.23]	J/mol×K	[722.93; 934.92]
Cp,gas	650.55	J/mol×K	722.93	Joback Calculated Property
Cp,gas	668.41	J/mol×K	758.26	Joback Calculated Property
Cp,gas	685.13	J/mol×K	793.59	Joback Calculated Property
Cp,gas	700.73	J/mol×K	828.93	Joback Calculated Property
Cp,gas	715.25	J/mol×K	864.26	Joback Calculated Property
Cp,gas	728.74	J/mol×K	899.59	Joback Calculated Property
Cp,gas	741.23	J/mol×K	934.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester, [R-(R*,R*)]-.

Sources

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

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