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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
logPoct/wat	3.920		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan 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
Inp	1630.00		NIST
Inp	1616.00		NIST
Inp	1633.00		NIST
Inp	1621.00		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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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