Chemical Properties of 2-((2S,4aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)propan-2-ol (CAS 117066-77-0)

InChI

InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3

InChI Key

WMOPMQRJLLIEJV-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1=C2CC(C(C)(C)O)CCC2(C)CCC1

Molecular Weight¹

222.37

CAS

117066-77-0

Other Names

• 2-Naphthalenemethanol, 1,2,3,4,4a,5,6,7-octahydro-«alpha»,«alpha»,4a,8-tetramethyl-, (2S,4aR)-
• epi-«gamma»-Eudesmol
• 7-epi-«gamma»-Eudesmol

• ω : Acentric Factor.
• 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).
• 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.
• 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	0.5457		Relay (1.0) Calculated Property
ΔfG°	19.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.30	kJ/mol	Joback Calculated Property
ΔvapH°	85.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-3.08		Relay (1.0) Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	2191.78	kPa	Joback Calculated Property
Inp	[1660.00; 1664.00]
Inp	1660.00		NIST
Inp	1664.00		NIST
Inp	1664.00		NIST
Tboil	554.91	K	Relay (1.0) Calculated Property
Tc	791.92	K	Relay (1.0) Calculated Property
Tfus	359.22	K	Relay (1.0) Calculated Property
Vc	0.710	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.14; 699.60]	J/mol×K	[671.47; 884.60]
Cp,gas	596.14	J/mol×K	671.47	Joback Calculated Property
Cp,gas	615.41	J/mol×K	706.99	Joback Calculated Property
Cp,gas	633.66	J/mol×K	742.51	Joback Calculated Property
Cp,gas	651.05	J/mol×K	778.04	Joback Calculated Property
Cp,gas	667.73	J/mol×K	813.56	Joback Calculated Property
Cp,gas	683.86	J/mol×K	849.08	Joback Calculated Property
Cp,gas	699.60	J/mol×K	884.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((2S,4aR)-4a,8-Dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)propan-2-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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