Chemical Properties of 4-(2,7,7-Trimethylbicyclo[3.2.0]hept-2-en-1-yl)but-3-en-2-one

InChI

InChI=1S/C14H20O/c1-10-5-6-12-9-13(3,4)14(10,12)8-7-11(2)15/h5,7-8,12H,6,9H2,1-4H3/b8-7-

InChI Key

ZXVDYQWETIMVLL-FPLPWBNLSA-N

Formula

C14H20O

SMILES

CC(=O)C=CC12C(C)=CCC1CC2(C)C

Molecular Weight¹

204.31

Other Names

• 4-(2',7',7'-Trimethyl-bicyclo[3.2.0]hept-2'-en-1'-yl)but-3-en-2-one

• 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

Property	Value	Unit	Source
ΔfG°	129.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.76	kJ/mol	Joback Calculated Property
ΔfusH°	17.29	kJ/mol	Joback Calculated Property
ΔvapH°	51.80	kJ/mol	Joback Calculated Property
log10WS	-3.73		Crippen Calculated Property
logPoct/wat	3.514		Crippen Calculated Property
McVol	179.370	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Inp	[1394.00; 1472.00]
Inp	1472.00		NIST
Inp	1394.00		NIST
Inp	1472.00		NIST
Tboil	595.45	K	Joback Calculated Property
Tc	818.73	K	Joback Calculated Property
Tfus	381.59	K	Joback Calculated Property
Vc	0.693	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[470.23; 565.70]	J/mol×K	[595.45; 818.73]
Cp,gas	470.23	J/mol×K	595.45	Joback Calculated Property
Cp,gas	487.97	J/mol×K	632.66	Joback Calculated Property
Cp,gas	504.61	J/mol×K	669.88	Joback Calculated Property
Cp,gas	520.43	J/mol×K	707.09	Joback Calculated Property
Cp,gas	535.69	J/mol×K	744.30	Joback Calculated Property
Cp,gas	550.69	J/mol×K	781.52	Joback Calculated Property
Cp,gas	565.70	J/mol×K	818.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(2,7,7-Trimethylbicyclo[3.2.0]hept-2-en-1-yl)but-3-en-2-one.

Sources

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

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