Chemical Properties of 3,5,8a-trimethyl-4,4a,8a,9-tetrahydronaphtho[2,3-b]furan (CAS 115526-32-4)

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,7-8H2,1-3H3

InChI Key

AUSAHAHDEVYCOC-UHFFFAOYSA-N

Formula

C15H18O

SMILES

CC1=CC=CC2(C)Cc3occ(C)c3CC12

Molecular Weight¹

214.30

CAS

115526-32-4

• 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	0.3746		Relay (1.0) Calculated Property
ΔfG°	198.68	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	39.63	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.67	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.825		Crippen Calculated Property
McVol	178.300	ml/mol	McGowan Calculated Property
Pc	2471.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[1590.00; 1649.00]
Inp	1645.70		NIST
Inp	1645.70		NIST
Inp	1590.00		NIST
Inp	1613.00		NIST
Inp	1649.00		NIST
I	2162.00		NIST
Tboil	561.91	K	Relay (1.0) Calculated Property
Tc	797.14	K	Relay (1.0) Calculated Property
Tfus	294.98	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,5,8a-trimethyl-4,4a,8a,9-tetrahydronaphtho[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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.