Chemical Properties of (3R,3aR,4aR,8aS,9aR)-3,8a-Dimethyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one (CAS 72523-74-1)

InChI

InChI=1S/C15H22O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h10-13H,1,4-8H2,2-3H3

InChI Key

YYJRTJYCOMIDIC-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

C=C1CCCC2(C)CC3OC(=O)C(C)C3CC12

Molecular Weight¹

234.33

CAS

72523-74-1

• 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°	32.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-370.07	kJ/mol	Joback Calculated Property
ΔfusH°	22.79	kJ/mol	Joback Calculated Property
ΔvapH°	56.56	kJ/mol	Joback Calculated Property
log10WS	-3.65		Crippen Calculated Property
logPoct/wat	3.320		Crippen Calculated Property
McVol	192.770	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Inp	[1984.20; 1984.20]
Inp	1984.20		NIST
Inp	1984.20		NIST
Tboil	664.73	K	Joback Calculated Property
Tc	905.44	K	Joback Calculated Property
Tfus	422.44	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.64; 706.09]	J/mol×K	[664.73; 905.44]
Cp,gas	584.64	J/mol×K	664.73	Joback Calculated Property
Cp,gas	607.67	J/mol×K	704.85	Joback Calculated Property
Cp,gas	629.35	J/mol×K	744.97	Joback Calculated Property
Cp,gas	649.87	J/mol×K	785.09	Joback Calculated Property
Cp,gas	669.38	J/mol×K	825.20	Joback Calculated Property
Cp,gas	688.07	J/mol×K	865.32	Joback Calculated Property
Cp,gas	706.09	J/mol×K	905.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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