Chemical Properties of (-)-2,3,3a,4,5,6-Hexahydro-1,4-dimethylazulen-4-ol

InChI

InChI=1S/C12H18O/c1-9-6-7-11-10(9)5-3-4-8-12(11,2)13/h3,5,11,13H,4,6-8H2,1-2H3

InChI Key

RZOQSQQQVAELHL-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CC1=C2C=CCCC(C)(O)C2CC1

Molecular Weight¹

178.27

• 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	0.4763		Relay (1.0) Calculated Property
ΔfG°	21.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-176.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.16	kJ/mol	Joback Calculated Property
ΔvapH°	75.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-2.12		Relay (1.0) Calculated Property
logPoct/wat	2.814		Crippen Calculated Property
McVol	155.490	ml/mol	McGowan Calculated Property
Pc	2982.79	kPa	Joback Calculated Property
Inp	[1448.00; 1448.00]
Inp	1448.00		NIST
Inp	1448.00		NIST
Tboil	530.57	K	Relay (1.0) Calculated Property
Tc	756.82	K	Relay (1.0) Calculated Property
Tfus	336.63	K	Relay (1.0) Calculated Property
Vc	0.533	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.82; 499.27]	J/mol×K	[605.22; 818.89]
Cp,gas	413.82	J/mol×K	605.22	Joback Calculated Property
Cp,gas	429.98	J/mol×K	640.83	Joback Calculated Property
Cp,gas	445.20	J/mol×K	676.44	Joback Calculated Property
Cp,gas	459.61	J/mol×K	712.05	Joback Calculated Property
Cp,gas	473.33	J/mol×K	747.66	Joback Calculated Property
Cp,gas	486.51	J/mol×K	783.28	Joback Calculated Property
Cp,gas	499.27	J/mol×K	818.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-2,3,3a,4,5,6-Hexahydro-1,4-dimethylazulen-4-ol.

Sources

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

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