Chemical Properties of (R)-2-((4aS,8aR)-4a-Methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propan-1-ol (CAS 28102-68-3)

InChI

InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h6,12,14,16H,1,4-5,7-10H2,2-3H3

InChI Key

RQWRGJGCTMAFBS-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1CCCC2(C)CC=C(C(C)CO)CC12

Molecular Weight¹

220.35

CAS

28102-68-3

Other Names

• 2-Naphthaleneethanol, 1,4,4a,5,6,7,8,8a-octahydro-«beta»,4a-dimethyl-8-methylene-, («beta»R,4aS,8aR)-
• 2-Naphthaleneethanol, 1,4,4a,5,6,7,8,8a-octahydro-«beta»,4a-dimethyl-8-methylene-, [4aS-[2(S*),4a«alpha»,8a«beta»]]-
• 5«beta»,10«alpha»-Eudesma-4(14),7-dien-12-ol, (11R)-
• Vetiselinenol

• 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	0.5440		Relay (... Calculated Property
ΔfG°	77.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-236.18	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.42	kJ/mol	Joback Calculated Property
ΔvapH°	89.25	kJ/mol	Relay (... Calculated Property
IE	8.59	eV	Relay (... Calculated Property
log10WS	-3.66		Relay (... Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
Inp	[1723.00; 1723.00]
Inp	1723.00		NIST
Inp	1723.00		NIST
Tboil	580.45	K	Relay (... Calculated Property
Tc	799.58	K	Relay (... Calculated Property
Tfus	295.39	K	Relay (... Calculated Property
Vc	0.651	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.07; 667.74]	J/mol×K	[668.44; 875.24]
Cp,gas	570.07	J/mol×K	668.44	Joback Calculated Property
Cp,gas	588.18	J/mol×K	702.91	Joback Calculated Property
Cp,gas	605.40	J/mol×K	737.37	Joback Calculated Property
Cp,gas	621.84	J/mol×K	771.84	Joback Calculated Property
Cp,gas	637.63	J/mol×K	806.31	Joback Calculated Property
Cp,gas	652.89	J/mol×K	840.77	Joback Calculated Property
Cp,gas	667.74	J/mol×K	875.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to (R)-2-((4aS,8aR)-4a-Methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propan-1-ol.

Sources

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

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