Chemical Properties of (4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan (CAS 2221-88-7)

InChI

InChI=1S/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4,6,9,13H,1,5,7-8H2,2-3H3/t13-,15+/m1/s1

InChI Key

BZQURGSQMBBPRU-HIFRSBDPSA-N

Formula

C15H18O

SMILES

C=C1CC=CC2(C)Cc3occ(C)c3CC12

Molecular Weight¹

214.30

CAS

2221-88-7

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• I : 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	0.3670		Relay (1.0) Calculated Property
ΔfG°	213.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	64.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-4.18		Relay (1.0) Calculated Property
logPoct/wat	3.825		Crippen Calculated Property
McVol	178.300	ml/mol	McGowan Calculated Property
Pc	2380.48	kPa	Relay (1.0-beta) Calculated Property
Inp	[1651.60; 1653.00]
Inp	1651.60		NIST
Inp	1653.00		NIST
I	[2170.00; 2170.00]
I	2170.00		NIST
I	2170.00		NIST
Tboil	567.53	K	Relay (1.0) Calculated Property
Tc	792.28	K	Relay (1.0) Calculated Property
Tfus	298.98	K	Relay (1.0) Calculated Property
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (4aS,8aS)-3,8a-Dimethyl-5-methylene-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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