Chemical Properties of «delta»-patchoulene

InChI

InChI=1S/C16H28/c1-12(2)6-7-14-9-8-13-10-11-16(14,5)15(13,3)4/h9,12-13H,6-8,10-11H2,1-5H3

InChI Key

BLLLUIMYYWMBGY-UHFFFAOYSA-N

Formula

C16H28

SMILES

CC(C)CCC1=CCC2CCC1(C)C2(C)C

Molecular Weight¹

220.39

• 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.
• I : 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	[569.02; 687.34]	J/mol×K	[587.01; 797.84]
Cp,gas	569.02	J/mol×K	587.01	Joback Calculated Property
Cp,gas	591.16	J/mol×K	622.15	Joback Calculated Property
Cp,gas	612.03	J/mol×K	657.29	Joback Calculated Property
Cp,gas	631.86	J/mol×K	692.42	Joback Calculated Property
Cp,gas	650.87	J/mol×K	727.56	Joback Calculated Property
Cp,gas	669.29	J/mol×K	762.70	Joback Calculated Property
Cp,gas	687.34	J/mol×K	797.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to «delta»-patchoulene.

Sources

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

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