Chemical Properties of 2-Methyl-6-(p-tolyl)hept-2-en-4-ol (CAS 38142-57-3)

InChI

InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3

InChI Key

NRBFEAZFHRHFFQ-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC(C)=CC(O)CC(C)c1ccc(C)cc1

Molecular Weight¹

218.33

CAS

38142-57-3

Other Names

• Benzenepropanol,«gamma»,4-dimethyl-«alpha»-(2-methyl-1-propen-1-yl)-
• ar-Turmerol
• ar-Tumerol
• Turmerol (-ar)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.19	kJ/mol	Joback Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Inp	[1555.00; 1594.00]
Inp	1576.00		NIST
Inp	1577.00		NIST
Inp	1594.00		NIST
Inp	Outlier 1555.00		NIST
Inp	1583.00		NIST
Inp	1559.00		NIST
Inp	1594.00		NIST
Inp	1584.00		NIST
Inp	1583.00		NIST
Inp	1576.00		NIST
Inp	1582.00		NIST
Inp	1572.00		NIST
Inp	1583.00		NIST
Inp	1568.00		NIST
Inp	1577.00		NIST
Inp	1560.00		NIST
Inp	1583.00		NIST
Inp	1579.00		NIST
Inp	1583.00		NIST
Inp	1583.00		NIST
Inp	1578.00		NIST
Inp	1583.00		NIST
Inp	Outlier 1555.00		NIST
Inp	1584.00		NIST
I	[2214.00; 2214.00]
I	2214.00		NIST
I	2214.00		NIST
I	2214.00		NIST
I	2214.00		NIST
I	2214.00		NIST
Tboil	566.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.00; 660.52]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.22990e+01
Coefficient B			1.35618e+00
Coefficient C			-8.79260e-04
Coefficient D			2.25900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.00	J/mol×K	273.00	Calculated Property
Cp,gas	337.44	J/mol×K	353.78	Calculated Property
Cp,gas	399.54	J/mol×K	434.56	Calculated Property
Cp,gas	454.00	J/mol×K	515.33	Calculated Property
Cp,gas	501.54	J/mol×K	596.11	Calculated Property
Cp,gas	542.89	J/mol×K	676.89	Calculated Property
Cp,gas	578.74	J/mol×K	757.67	Calculated Property
Cp,gas	609.82	J/mol×K	838.44	Calculated Property
Cp,gas	636.84	J/mol×K	919.22	Calculated Property
Cp,gas	660.52	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-6-(p-tolyl)hept-2-en-4-ol.

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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