Chemical Properties of 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-, [3S-(3«alpha»,3a«alpha»,6«alpha»,7«beta»,7a«beta»)]- (CAS 23527-07-3)

InChI

InChI=1S/C15H22O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,10-13H,1-2,7-8H2,3-5H3

InChI Key

LMNJALUUIMXUQQ-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

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

Molecular Weight¹

234.33

CAS

23527-07-3

Other Names

• 2(3H)-Benzofuranone, hexahydro-7-isopropenyl-3,6-dimethyl-6-vinyl-, (all-S)-
• Saussurea 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	0.3919		Relay (... Calculated Property
ΔfG°	90.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	25.11	kJ/mol	Joback Calculated Property
ΔvapH°	80.63	kJ/mol	Relay (... Calculated Property
IE	9.24	eV	Relay (... Calculated Property
log10WS	-3.77		Relay (... Calculated Property
logPoct/wat	3.342		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	1954.41	kPa	Joback Calculated Property
Inp	[1806.30; 1806.30]
Inp	1806.30		NIST
Inp	1806.30		NIST
Tboil	580.24	K	Relay (... Calculated Property
Tc	790.23	K	Relay (... Calculated Property
Tfus	318.88	K	Relay (... Calculated Property
Vc	0.678	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.05; 692.00]	J/mol×K	[643.13; 872.16]
Cp,gas	575.05	J/mol×K	643.13	Joback Calculated Property
Cp,gas	597.18	J/mol×K	681.30	Joback Calculated Property
Cp,gas	618.07	J/mol×K	719.47	Joback Calculated Property
Cp,gas	637.86	J/mol×K	757.65	Joback Calculated Property
Cp,gas	656.69	J/mol×K	795.82	Joback Calculated Property
Cp,gas	674.69	J/mol×K	833.99	Joback Calculated Property
Cp,gas	692.00	J/mol×K	872.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(3H)-Benzofuranone, 6-ethenylhexahydro-3,6-dimethyl-7-(1-methylethenyl)-, [3S-(3«alpha»,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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