Chemical Properties of 7-Acetyl-2,2,6-trimethylbicyclo[4.2.0]octane

InChI

InChI=1S/C13H22O2/c1-9(14)15-11-8-10-12(2,3)6-5-7-13(10,11)4/h10-11H,5-8H2,1-4H3

InChI Key

SAWHMFWVBIJWKO-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CC(=O)OC1CC2C(C)(C)CCCC12C

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.
• 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

Property	Value	Unit	Source
ΔfG°	-104.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.37	kJ/mol	Joback Calculated Property
ΔfusH°	13.83	kJ/mol	Joback Calculated Property
ΔvapH°	50.94	kJ/mol	Joback Calculated Property
log10WS	-3.30		Crippen Calculated Property
logPoct/wat	3.154		Crippen Calculated Property
McVol	179.750	ml/mol	McGowan Calculated Property
Pc	2298.11	kPa	Joback Calculated Property
Inp	[1370.00; 1370.00]
Inp	1370.00		NIST
Inp	1370.00		NIST
I	[1763.00; 1763.00]
I	1763.00		NIST
I	1763.00		NIST
Tboil	586.29	K	Joback Calculated Property
Tc	805.67	K	Joback Calculated Property
Tfus	376.59	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback Calculated Property

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 7-Acetyl-2,2,6-trimethylbicyclo[4.2.0]octane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.