Chemical Properties of 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione (CAS 6617-34-1)

InChI

InChI=1S/C10H12O2/c1-5-4-6(11)7-8(9(5)12)10(7,2)3/h4,7-8H,1-3H3

InChI Key

BBRJZZUFDYMNIY-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC1=CC(=O)C2C(C1=O)C2(C)C

Molecular Weight¹

164.20

CAS

6617-34-1

• 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	[335.42; 420.04]	J/mol×K	[581.30; 822.92]
Cp,gas	335.42	J/mol×K	581.30	Joback Calculated Property
Cp,gas	351.28	J/mol×K	621.57	Joback Calculated Property
Cp,gas	366.28	J/mol×K	661.84	Joback Calculated Property
Cp,gas	380.54	J/mol×K	702.11	Joback Calculated Property
Cp,gas	394.18	J/mol×K	742.38	Joback Calculated Property
Cp,gas	407.31	J/mol×K	782.65	Joback Calculated Property
Cp,gas	420.04	J/mol×K	822.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dione.

Sources

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

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