Chemical Properties of 3,5,8a-Trimethyl-4,6,8a,9-tetrahydronaphtho[2,3-b]furan (CAS 631868-96-7)

InChI

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

InChI Key

NXFJHCXGPPVGQH-UHFFFAOYSA-N

Formula

C15H18O

SMILES

CC1=C2Cc3c(C)coc3CC2(C)C=CC1

Molecular Weight¹

214.30

CAS

631868-96-7

• 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	0.3651		Relay (1.0) Calculated Property
ΔfG°	206.39	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	91.13	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	72.90	kJ/mol	Relay (1.0) Calculated Property
IE	7.87	eV	Relay (1.0) Calculated Property
log10WS	-3.88		Relay (1.0) Calculated Property
logPoct/wat	3.969		Crippen Calculated Property
McVol	178.300	ml/mol	McGowan Calculated Property
Pc	2355.42	kPa	Relay (1.0-beta) Calculated Property
Inp	[1587.00; 1587.00]
Inp	1587.00		NIST
Inp	1587.00		NIST
I	2080.00		NIST
Tboil	562.39	K	Relay (1.0) Calculated Property
Tc	785.93	K	Relay (1.0) Calculated Property
Tfus	335.05	K	Relay (1.0) Calculated Property
Vc	0.644	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3,5,8a-Trimethyl-4,6,8a,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

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