Chemical Properties of 3-(Methoxycarbonyl)-2-cycloheptenone (CAS 42205-57-2)

InChI

InChI=1S/C9H12O3/c1-12-9(11)7-4-2-3-5-8(10)6-7/h6H,2-5H2,1H3

InChI Key

GDTPFKPPIYKGSI-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

COC(=O)C1=CC(=O)CCCC1

Molecular Weight¹

168.19

CAS

42205-57-2

• 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	[318.77; 398.75]	J/mol×K	[582.06; 816.73]
Cp,gas	318.77	J/mol×K	582.06	Joback Calculated Property
Cp,gas	334.33	J/mol×K	621.17	Joback Calculated Property
Cp,gas	349.05	J/mol×K	660.28	Joback Calculated Property
Cp,gas	362.88	J/mol×K	699.40	Joback Calculated Property
Cp,gas	375.80	J/mol×K	738.51	Joback Calculated Property
Cp,gas	387.76	J/mol×K	777.62	Joback Calculated Property
Cp,gas	398.75	J/mol×K	816.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Methoxycarbonyl)-2-cycloheptenone.

Sources

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

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