Chemical Properties of 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]- (CAS 21441-72-5)

InChI

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

InChI Key

FUZABTYGEVJEPT-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C3CC12CC=C3CO

Molecular Weight¹

220.35

CAS

21441-72-5

Other Names

• Cedr-8-en-15-ol
• [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methanol
• «alpha»-Cedrenol

• 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	0.5275		Relay (... Calculated Property
ΔfG°	90.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-225.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.28	kJ/mol	Joback Calculated Property
ΔvapH°	95.73	kJ/mol	Relay (... Calculated Property
IE	8.50	eV	Relay (... Calculated Property
log10WS	-3.98		Relay (... Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2309.17	kPa	Joback Calculated Property
Inp	[1669.10; 1695.00]
Inp	1669.10		NIST
Inp	1695.00		NIST
Inp	1669.10		NIST
Tboil	563.59	K	Relay (... Calculated Property
Tc	829.10	K	Relay (... Calculated Property
Tfus	355.48	K	Relay (... Calculated Property
Vc	0.656	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.50; 678.22]	J/mol×K	[658.82; 867.61]
Cp,gas	574.50	J/mol×K	658.82	Joback Calculated Property
Cp,gas	592.95	J/mol×K	693.62	Joback Calculated Property
Cp,gas	610.61	J/mol×K	728.42	Joback Calculated Property
Cp,gas	627.74	J/mol×K	763.22	Joback Calculated Property
Cp,gas	644.56	J/mol×K	798.01	Joback Calculated Property
Cp,gas	661.31	J/mol×K	832.81	Joback Calculated Property
Cp,gas	678.22	J/mol×K	867.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-3a,7-Methanoazulene-6-methanol, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-.

Sources

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

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