Chemical Properties of «beta»-Acorenol (CAS 28400-11-5)

InChI

InChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3

InChI Key

XDVDHFJMCJWDPI-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1=CCC2(CC1)C(C)CCC2C(C)(C)O

Molecular Weight¹

222.37

CAS

28400-11-5

• 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	0.5185		Relay (... Calculated Property
ΔfG°	21.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
ΔvapH°	86.21	kJ/mol	Relay (... Calculated Property
IE	8.54	eV	Relay (... Calculated Property
log10WS	-3.52		Relay (... Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1648.50; 1648.50]
Inp	1648.50		NIST
Inp	1648.50		NIST
Tboil	558.53	K	Relay (... Calculated Property
Tc	777.83	K	Relay (... Calculated Property
Tfus	336.77	K	Relay (... Calculated Property
Vc	0.679	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.13; 704.35]	J/mol×K	[661.82; 874.07]
Cp,gas	598.13	J/mol×K	661.82	Joback Calculated Property
Cp,gas	618.08	J/mol×K	697.19	Joback Calculated Property
Cp,gas	636.92	J/mol×K	732.57	Joback Calculated Property
Cp,gas	654.81	J/mol×K	767.94	Joback Calculated Property
Cp,gas	671.91	J/mol×K	803.32	Joback Calculated Property
Cp,gas	688.38	J/mol×K	838.69	Joback Calculated Property
Cp,gas	704.35	J/mol×K	874.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Acorenol.

Sources

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

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