Chemical Properties of (1R,4R)-1-methyl-4-(6-Methylhept-5-en-2-yl)cyclohex-2-enol (CAS 58334-55-7)

InChI

InChI=1S/C15H26O/c1-12(2)6-5-7-13(3)14-8-10-15(4,16)11-9-14/h6,8,10,13-14,16H,5,7,9,11H2,1-4H3

InChI Key

VVCHIOKYQRUBED-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC(C)=CCCC(C)C1C=CC(C)(O)CC1

Molecular Weight¹

222.37

CAS

58334-55-7

Other Names

• Zingiberenol

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.89	kJ/mol	Joback Calculated Property
logPoct/wat	4.086		Crippen Calculated Property
McVol	208.620	ml/mol	McGowan Calculated Property
Inp	[1583.00; 1635.00]
Inp	1583.00		NIST
Inp	1635.00		NIST
Inp	1620.00		NIST
Inp	1635.00		NIST
Inp	1603.00		NIST
Inp	1593.00		NIST
Inp	1611.00		NIST
Inp	1583.00		NIST
Inp	1616.00		NIST
Inp	1606.00		NIST
Inp	1635.00		NIST
Inp	1603.00		NIST
Ip	[2062.00; 2113.00]
Ip	2104.00		NIST
Ip	2109.00		NIST
Ip	2109.00		NIST
Ip	2100.00		NIST
Ip	Outlier 2062.00		NIST
Ip	2113.00		NIST
Ip	2100.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.77; 749.31]	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			-1.22888e+02
Coefficient B			1.82018e+00
Coefficient C			-1.45738e-03
Coefficient D			5.09400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.77	J/mol×K	273.00	Calculated Property
Cp,gas	361.20	J/mol×K	353.78	Calculated Property
Cp,gas	434.67	J/mol×K	434.56	Calculated Property
Cp,gas	497.79	J/mol×K	515.33	Calculated Property
Cp,gas	552.17	J/mol×K	596.11	Calculated Property
Cp,gas	599.41	J/mol×K	676.89	Calculated Property
Cp,gas	641.14	J/mol×K	757.67	Calculated Property
Cp,gas	678.96	J/mol×K	838.44	Calculated Property
Cp,gas	714.48	J/mol×K	919.22	Calculated Property
Cp,gas	749.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (1R,4R)-1-methyl-4-(6-Methylhept-5-en-2-yl)cyclohex-2-enol.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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