Chemical Properties of 3-(Methoxycarbonyl)-3-cyclooctenone (CAS 17606-95-0)

InChI

InChI=1S/C10H14O3/c1-13-10(12)8-5-3-2-4-6-9(11)7-8/h7H,2-6H2,1H3/b8-7+

InChI Key

HVNCTECESWBWRG-BQYQJAHWSA-N

Formula

C10H14O3

SMILES

COC(=O)C1=CC(=O)CCCCC1

Molecular Weight¹

182.22

CAS

17606-95-0

• 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	[368.62; 456.26]	J/mol×K	[609.21; 847.27]
Cp,gas	368.62	J/mol×K	609.21	Joback Calculated Property
Cp,gas	385.95	J/mol×K	648.89	Joback Calculated Property
Cp,gas	402.24	J/mol×K	688.56	Joback Calculated Property
Cp,gas	417.46	J/mol×K	728.24	Joback Calculated Property
Cp,gas	431.57	J/mol×K	767.92	Joback Calculated Property
Cp,gas	444.51	J/mol×K	807.60	Joback Calculated Property
Cp,gas	456.26	J/mol×K	847.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Methoxycarbonyl)-3-cyclooctenone.

Sources

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

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