Chemical Properties of 2-((4aS,8R,8aR)-4a,8-Dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol (CAS 194607-96-0)

InChI

InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-11,13,16H,5-9H2,1-4H3

InChI Key

YAQHBZWQFWXJOL-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1CCCC2(C)CCC(C(C)(C)O)=CC12

Molecular Weight¹

222.37

CAS

194607-96-0

Other Names

• cis-Eudesm-6-en-11-ol

• 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).
• 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
ΔfG°	21.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.74	kJ/mol	Joback Calculated Property
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
ΔvapH°	64.38	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1566.00; 1575.00]
Inp	1575.00		NIST
Inp	1566.00		NIST
I	2064.00		NIST
Tboil	661.82	K	Joback Calculated Property
Tc	874.07	K	Joback Calculated Property
Tfus	376.79	K	Joback Calculated Property
Vc	0.749	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.13; 704.35]	J/mol×K	[661.82; 874.07]
Cp,gas	598.13	J/mol×K	661.82	Joback Calculated Property
Cp,gas	618.08	J/mol×K	697.19	Joback Calculated Property
Cp,gas	636.92	J/mol×K	732.57	Joback Calculated Property
Cp,gas	654.81	J/mol×K	767.94	Joback Calculated Property
Cp,gas	671.91	J/mol×K	803.32	Joback Calculated Property
Cp,gas	688.38	J/mol×K	838.69	Joback Calculated Property
Cp,gas	704.35	J/mol×K	874.07	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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