Chemical Properties of 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a«alpha»,6«alpha»,7«beta»,7a«beta»)]- (CAS 28290-35-9)

InChI

InChI=1S/C15H20O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,11-13H,1-2,4,7-8H2,3,5H3

InChI Key

ZNTHTBBAGNVESR-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=CC1(C)CCC2C(=C)C(=O)OC2C1C(=C)C

Molecular Weight¹

232.32

CAS

28290-35-9

Other Names

• 2(3H)-Benzofuranone, 3a«beta»,4,5,6,7,7a«alpha»-hexahydro-7«alpha»-isopropenyl-6«alpha»-methyl-3-methylene-6-vinyl-, (+)-
• Saussurea lactone, dehydro-
• Dehydrosaussurea lactone

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3967		Relay (... Calculated Property
ΔfG°	151.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-264.56	kJ/mol	Relay (... Calculated Property
ΔfusH°	22.88	kJ/mol	Joback Calculated Property
ΔvapH°	82.67	kJ/mol	Relay (... Calculated Property
IE	9.27	eV	Relay (... Calculated Property
log10WS	-3.77		Relay (... Calculated Property
logPoct/wat	3.263		Crippen Calculated Property
McVol	195.030	ml/mol	McGowan Calculated Property
Pc	2047.46	kPa	Joback Calculated Property
Inp	[1838.40; 1838.40]
Inp	1838.40		NIST
Inp	1838.40		NIST
Tboil	586.38	K	Relay (... Calculated Property
Tc	791.02	K	Relay (... Calculated Property
Tfus	303.01	K	Relay (... Calculated Property
Vc	0.655	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.04; 658.87]	J/mol×K	[646.96; 877.83]
Cp,gas	550.04	J/mol×K	646.96	Joback Calculated Property
Cp,gas	570.55	J/mol×K	685.44	Joback Calculated Property
Cp,gas	589.93	J/mol×K	723.92	Joback Calculated Property
Cp,gas	608.32	J/mol×K	762.39	Joback Calculated Property
Cp,gas	625.84	J/mol×K	800.87	Joback Calculated Property
Cp,gas	642.65	J/mol×K	839.35	Joback Calculated Property
Cp,gas	658.87	J/mol×K	877.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a«alpha»,6«alpha»,7«beta»,7a«beta»)]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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