Chemical Properties of Bicyclo[9.3.1]pentadeca-3,7-dien-12-ol, 4,8,12,15,15-pentamethyl-, [1R-(1R*,3E,7E,11R*,12R*)]- (CAS 70000-19-0)

InChI

InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9-,16-8-

InChI Key

CQWSCMMFUZYKBO-KUONJXJVSA-N

Formula

C20H34O

SMILES

CC1=CCC2CCC(C)(O)C(CCC(C)=CCC1)C2(C)C

Molecular Weight¹

290.48

CAS

70000-19-0

Other Names

• Verticiol
• Verticillol
• 4,8,12,15,15-Pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol l-, (1R,3E,7E,11R,12R)-
• Bicyclo[9.3.1]pentadeca-3,7-dien-12-ol, 4,8,12,15,15-pentamethyl-, (1R,3E,7E,11R,12R)-

• 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.
• 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°	7.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-435.78	kJ/mol	Joback Calculated Property
ΔfusH°	20.23	kJ/mol	Joback Calculated Property
ΔvapH°	77.16	kJ/mol	Joback Calculated Property
log10WS	-6.34		Crippen Calculated Property
logPoct/wat	5.647		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Pc	1606.42	kPa	Joback Calculated Property
Inp	[2036.70; 2106.00]
Inp	2036.70		NIST
Inp	2106.00		NIST
Inp	2036.70		NIST
Inp	2106.00		NIST
Inp	2106.00		NIST
Tboil	800.51	K	Joback Calculated Property
Tc	1025.42	K	Joback Calculated Property
Tfus	446.06	K	Joback Calculated Property
Vc	0.983	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.56; 1020.46]	J/mol×K	[800.51; 1025.42]
Cp,gas	878.56	J/mol×K	800.51	Joback Calculated Property
Cp,gas	903.21	J/mol×K	837.99	Joback Calculated Property
Cp,gas	927.18	J/mol×K	875.48	Joback Calculated Property
Cp,gas	950.68	J/mol×K	912.96	Joback Calculated Property
Cp,gas	973.92	J/mol×K	950.45	Joback Calculated Property
Cp,gas	997.11	J/mol×K	987.93	Joback Calculated Property
Cp,gas	1020.46	J/mol×K	1025.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[9.3.1]pentadeca-3,7-dien-12-ol, 4,8,12,15,15-pentamethyl-, [1R-(1R*,3E,7E,11R*,12R*)]-.

Sources

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

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