Chemical Properties of (3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one (CAS 66873-37-8)

InChI

InChI=1S/C15H20O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h8,12-14H,3-7H2,1-2H3

InChI Key

GAPVTYWDGWKUKK-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1C(=O)OC2CC(C)=C3CCC(C)C3CC12

Molecular Weight¹

232.32

CAS

66873-37-8

• 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	0.4195		Relay (... Calculated Property
ΔfG°	56.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.32	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.46	kJ/mol	Joback Calculated Property
ΔvapH°	87.48	kJ/mol	Relay (... Calculated Property
IE	8.47	eV	Relay (... Calculated Property
log10WS	-3.64		Relay (... Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[1948.00; 1967.10]
Inp	1967.10		NIST
Inp	1948.00		NIST
Tboil	598.52	K	Relay (... Calculated Property
Tc	823.44	K	Relay (... Calculated Property
Tfus	395.45	K	Relay (... Calculated Property
Vc	0.666	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[562.96; 668.18]	J/mol×K	[678.28; 913.85]
Cp,gas	562.96	J/mol×K	678.28	Joback Calculated Property
Cp,gas	583.85	J/mol×K	717.54	Joback Calculated Property
Cp,gas	603.34	J/mol×K	756.80	Joback Calculated Property
Cp,gas	621.47	J/mol×K	796.06	Joback Calculated Property
Cp,gas	638.29	J/mol×K	835.33	Joback Calculated Property
Cp,gas	653.85	J/mol×K	874.59	Joback Calculated Property
Cp,gas	668.18	J/mol×K	913.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3aR,4aS,5R,9aS)-5,8-Dimethyl-3-methylene-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one.

Sources

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

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