Chemical Properties of Fragranyl acetate

InChI

InChI=1S/C12H22O2/c1-9(2)11-5-6-12(11,4)7-8-14-10(3)13/h9,11H,5-8H2,1-4H3/t11-,12-/m1/s1

InChI Key

WHLCYZCJPXWYQN-VXGBXAGGSA-N

Formula

C12H22O2

SMILES

CC(=O)OCCC1(C)CCC1C(C)C

Molecular Weight¹

198.30

• 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	[451.93; 546.97]	J/mol×K	[556.39; 753.90]
Cp,gas	451.93	J/mol×K	556.39	Joback Calculated Property
Cp,gas	469.84	J/mol×K	589.31	Joback Calculated Property
Cp,gas	486.80	J/mol×K	622.23	Joback Calculated Property
Cp,gas	502.91	J/mol×K	655.15	Joback Calculated Property
Cp,gas	518.25	J/mol×K	688.06	Joback Calculated Property
Cp,gas	532.91	J/mol×K	720.98	Joback Calculated Property
Cp,gas	546.97	J/mol×K	753.90	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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