Chemical Properties of «beta»-Acoradienol (CAS 149496-35-5)

InChI

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

InChI Key

KBMDEJULGPFFGC-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C(C)C1CCC(C)C12CC=C(CO)CC2

Molecular Weight¹

220.35

CAS

149496-35-5

• 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°	98.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.35	kJ/mol	Joback Calculated Property
ΔfusH°	19.58	kJ/mol	Joback Calculated Property
ΔvapH°	65.08	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2212.45	kPa	Joback Calculated Property
Inp	[1732.00; 1768.00]
Inp	1732.00		NIST
Inp	1736.00		NIST
Inp	1754.00		NIST
Inp	1764.10		NIST
Inp	1768.00		NIST
Inp	1741.00		NIST
Inp	1757.00		NIST
Inp	1732.00		NIST
Inp	1732.00		NIST
Inp	1732.00		NIST
Inp	1736.00		NIST
Tboil	661.61	K	Joback Calculated Property
Tc	869.92	K	Joback Calculated Property
Tfus	358.65	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.16; 673.58]	J/mol×K	[661.61; 869.92]
Cp,gas	572.16	J/mol×K	661.61	Joback Calculated Property
Cp,gas	591.06	J/mol×K	696.33	Joback Calculated Property
Cp,gas	608.99	J/mol×K	731.05	Joback Calculated Property
Cp,gas	626.07	J/mol×K	765.76	Joback Calculated Property
Cp,gas	642.44	J/mol×K	800.48	Joback Calculated Property
Cp,gas	658.24	J/mol×K	835.20	Joback Calculated Property
Cp,gas	673.58	J/mol×K	869.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Acoradienol.

Sources

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

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