Chemical Properties of 5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one (CAS 80367-94-8)

InChI

InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3

InChI Key

PXOYOCNNSUAQNS-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12

Molecular Weight¹

232.32

CAS

80367-94-8

• 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°	60.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.42	kJ/mol	Joback Calculated Property
ΔfusH°	22.55	kJ/mol	Joback Calculated Property
ΔvapH°	57.82	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.241		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2289.32	kPa	Joback Calculated Property
Inp	[1916.00; 1916.00]
Inp	1916.00		NIST
Inp	1916.00		NIST
Tboil	673.54	K	Joback Calculated Property
Tc	917.23	K	Joback Calculated Property
Tfus	439.96	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.36; 672.07]	J/mol×K	[673.54; 917.23]
Cp,gas	559.36	J/mol×K	673.54	Joback Calculated Property
Cp,gas	580.55	J/mol×K	714.15	Joback Calculated Property
Cp,gas	600.53	J/mol×K	754.77	Joback Calculated Property
Cp,gas	619.50	J/mol×K	795.38	Joback Calculated Property
Cp,gas	637.63	J/mol×K	836.00	Joback Calculated Property
Cp,gas	655.09	J/mol×K	876.61	Joback Calculated Property
Cp,gas	672.07	J/mol×K	917.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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