Chemical Properties of 1s,2r,5r-3-Pinanone (CAS 22339-21-5)

InChI

InChI=1S/C11H18O/c1-7-9-5-4-8(6-10(7)12)11(9,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m1/s1

InChI Key

ABXBNWJKXXCADH-VGMNWLOBSA-N

Formula

C10H16O

SMILES

CC1C(=O)CC2CCC1C2(C)C

Molecular Weight¹

152.23

CAS

22339-21-5

• 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).
• 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	[373.23; 480.28]	J/mol×K	[531.82; 759.17]
Cp,gas	373.23	J/mol×K	531.82	Joback Calculated Property
Cp,gas	393.80	J/mol×K	569.71	Joback Calculated Property
Cp,gas	413.11	J/mol×K	607.60	Joback Calculated Property
Cp,gas	431.29	J/mol×K	645.50	Joback Calculated Property
Cp,gas	448.46	J/mol×K	683.39	Joback Calculated Property
Cp,gas	464.75	J/mol×K	721.28	Joback Calculated Property
Cp,gas	480.28	J/mol×K	759.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1s,2r,5r-3-Pinanone.

Sources

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

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