Chemical Properties of Fragranyl acetate (CAS 51117-22-7)

InChI

InChI=1S/C12H20O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h11H,1,5-8H2,2-4H3

InChI Key

HOTBFDJPUVYSFO-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

C=C(C)C1CCC1(C)CCOC(C)=O

Molecular Weight¹

196.29

CAS

51117-22-7

• 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	[431.45; 522.41]	J/mol×K	[553.39; 754.20]
Cp,gas	431.45	J/mol×K	553.39	Joback Calculated Property
Cp,gas	448.67	J/mol×K	586.86	Joback Calculated Property
Cp,gas	464.94	J/mol×K	620.33	Joback Calculated Property
Cp,gas	480.35	J/mol×K	653.79	Joback Calculated Property
Cp,gas	495.01	J/mol×K	687.26	Joback Calculated Property
Cp,gas	508.99	J/mol×K	720.73	Joback Calculated Property
Cp,gas	522.41	J/mol×K	754.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fragranyl acetate.

Sources

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

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