Chemical Properties of (3R,3aR,4aR,8aR,9aR)-3,8a-Dimethyl-5-methylene-3,3a,4,4a,5,6,9,9a-octahydronaphtho[2,3-b]furan-2(8aH)-one (CAS 66964-62-3)

InChI

InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h4,6,10-13H,1,5,7-8H2,2-3H3/t10-,11-,12-,13-,15+/m0/s1

InChI Key

VHANAQXZAJSCOS-MJDBTJCESA-N

Formula

C15H20O2

SMILES

C=C1CC=CC2(C)CC3OC(=O)C(C)C3CC12

Molecular Weight¹

232.32

CAS

66964-62-3

• 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	0.3786		Relay (1.0) Calculated Property
ΔfG°	62.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-338.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.01	kJ/mol	Joback Calculated Property
ΔvapH°	84.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	3.096		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
Inp	[1957.40; 1957.40]
Inp	1957.40		NIST
Inp	1957.40		NIST
Tboil	588.53	K	Relay (1.0) Calculated Property
Tc	815.40	K	Relay (1.0) Calculated Property
Tfus	356.69	K	Relay (1.0) Calculated Property
Vc	0.656	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.58; 677.31]	J/mol×K	[663.89; 906.87]
Cp,gas	561.58	J/mol×K	663.89	Joback Calculated Property
Cp,gas	583.52	J/mol×K	704.39	Joback Calculated Property
Cp,gas	604.17	J/mol×K	744.88	Joback Calculated Property
Cp,gas	623.69	J/mol×K	785.38	Joback Calculated Property
Cp,gas	642.28	J/mol×K	825.88	Joback Calculated Property
Cp,gas	660.09	J/mol×K	866.37	Joback Calculated Property
Cp,gas	677.31	J/mol×K	906.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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