Chemical Properties of Methyl-1,5,5-Trimethylbicyclo[4.1.0]heptan-7-carboxylate A

InChI

InChI=1S/C13H22O2/c1-12(2)6-5-7-13(3)8-9(10(12)13)11(14)15-4/h9-10H,5-8H2,1-4H3

InChI Key

VJHJXUZMZATUAR-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

COC(=O)C1CC2(C)CCCC(C)(C)C12

Molecular Weight¹

210.31

• 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	[489.76; 596.98]	J/mol×K	[586.29; 805.67]
Cp,gas	489.76	J/mol×K	586.29	Joback Calculated Property
Cp,gas	509.83	J/mol×K	622.85	Joback Calculated Property
Cp,gas	528.72	J/mol×K	659.42	Joback Calculated Property
Cp,gas	546.65	J/mol×K	695.98	Joback Calculated Property
Cp,gas	563.86	J/mol×K	732.54	Joback Calculated Property
Cp,gas	580.56	J/mol×K	769.11	Joback Calculated Property
Cp,gas	596.98	J/mol×K	805.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl-1,5,5-Trimethylbicyclo[4.1.0]heptan-7-carboxylate A.

Sources

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

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