Chemical Properties of «alpha»-Acorenol (CAS 28296-85-7)

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/t12?,13-,15+/m1/s1

InChI Key

XDVDHFJMCJWDPI-RLSDIYDTSA-N

Formula

C15H26O

SMILES

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

Molecular Weight¹

222.37

CAS

28296-85-7

Other Names

• Acorenol

• 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.
• 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
ΔfG°	21.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.74	kJ/mol	Joback Calculated Property
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
ΔvapH°	64.38	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen 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	[1605.00; 1634.00]
Inp	1630.00		NIST
Inp	1630.00		NIST
Inp	1630.00		NIST
Inp	1630.00		NIST
Inp	1630.00		NIST
Inp	1616.00		NIST
Inp	1614.00		NIST
Inp	1630.00		NIST
Inp	1630.00		NIST
Inp	1616.00		NIST
Inp	1633.00		NIST
Inp	1629.00		NIST
Inp	1634.00		NIST
Inp	1630.00		NIST
Inp	1630.00		NIST
Inp	1627.00		NIST
Inp	1632.00		NIST
Inp	1626.00		NIST
Inp	1621.00		NIST
Inp	Outlier 1605.00		NIST
Inp	1631.00		NIST
Inp	1633.00		NIST
Inp	1633.00		NIST
Inp	1630.00		NIST
Inp	1612.00		NIST
Inp	1626.00		NIST
Inp	1628.00		NIST
I	[2123.00; 2163.00]
I	2124.00		NIST
I	2127.00		NIST
I	2123.00		NIST
I	2163.00		NIST
I	2163.00		NIST
I	2163.00		NIST
Tboil	661.82	K	Joback Calculated Property
Tc	874.07	K	Joback Calculated Property
Tfus	376.79	K	Joback Calculated Property
Vc	0.749	m3/kmol	Joback 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 «alpha»-Acorenol.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.