Chemical Properties of 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene- (CAS 28231-03-0)

InChI

InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3

InChI Key

DJYWGTBEZVORGE-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1C(O)CC23CC1C(C)(C)C2CCC3C

Molecular Weight¹

220.35

CAS

28231-03-0

Other Names

• Cedr-8(15)-en-9-ol
• Cedrenol
• «beta»-cedren-9-«alpha»-ol
• octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulen-5-ol

• 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.
• 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	0.4625		Relay (... Calculated Property
ΔfG°	115.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.36	kJ/mol	Joback Calculated Property
ΔvapH°	90.33	kJ/mol	Relay (... Calculated Property
IE	8.79	eV	Relay (... Calculated Property
log10WS	-3.76		Relay (... Calculated Property
logPoct/wat	3.386		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2233.41	kPa	Joback Calculated Property
Inp	[1604.00; 1645.00]
Inp	1604.00		NIST
Inp	1604.00		NIST
Inp	1615.00		NIST
Inp	1645.00		NIST
Inp	1645.00		NIST
Inp	1615.00		NIST
I	[2110.00; 2142.00]
I	2110.00		NIST
I	2113.00		NIST
I	2142.00		NIST
I	2115.00		NIST
I	2129.00		NIST
I	2133.00		NIST
I	2133.00		NIST
I	2129.00		NIST
I	2110.00		NIST
Tboil	557.60	K	Relay (... Calculated Property
Tc	816.71	K	Relay (... Calculated Property
Tfus	380.83	K	Relay (... Calculated Property
Vc	0.663	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.53; 681.62]	J/mol×K	[649.17; 856.86]
Cp,gas	575.53	J/mol×K	649.17	Joback Calculated Property
Cp,gas	594.60	J/mol×K	683.79	Joback Calculated Property
Cp,gas	612.82	J/mol×K	718.40	Joback Calculated Property
Cp,gas	630.40	J/mol×K	753.02	Joback Calculated Property
Cp,gas	647.59	J/mol×K	787.63	Joback Calculated Property
Cp,gas	664.58	J/mol×K	822.25	Joback Calculated Property
Cp,gas	681.62	J/mol×K	856.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene-.

Sources

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

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