Chemical Properties of (3R,6S)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol

InChI

InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3

InChI Key

BCTBAGTXFYWYMW-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=CC1(C)CCC(O)C(C)(C)O1

Molecular Weight¹

170.25

Other Names

• trans-Linalool 3,7-oxide
• trans-Pyranoid linalool oxide
• Linalool 3,7-oxide, trans-
• Pyranoid linalool oxide, trans-
• trans-linalool oxide (pyranoid)
• linalool oxide, trans-pyranoid
• (E)-pyran linalool oxide
• (E)-Linalool oxide (pyranoid)
• (E)-Linalol pyranoxide
• trans-Linalool oxide (pyran)
• trans-Linalol oxide (pyranoid)
• Linalool oxide I (pyran)
• trans-pyran linalool oxide
• linalool oxide C (trans-THP)
• trans-Linalool oxide (pyranyl ring)
• linalool oxide (III)
• t-Pyran linalool oxide
• Linalool oxide I (pyranoid)
• trans-pyranic linalool oxide
• trans-pyranic linalool oxid
• (E)-Linallol oxide (pyran)
• E-Pyranoid linalool oxide
• linalool oxide IV (trans, pyranoid)
• Linalool E-pyranic oxide

• 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°	13.82	kJ/mol	Joback Calculated Property
logPoct/wat	1.881		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Inp	[1147.00; 1199.00]
Inp	1183.00		NIST
Inp	1164.00		NIST
Inp	1164.00		NIST
Inp	1168.00		NIST
Inp	Outlier 1199.00		NIST
Inp	1176.00		NIST
Inp	1149.00		NIST
Inp	1178.00		NIST
Inp	1168.00		NIST
Inp	1169.00		NIST
Inp	1173.00		NIST
Inp	1173.00		NIST
Inp	1162.00		NIST
Inp	1183.00		NIST
Inp	1147.00		NIST
Inp	1169.00		NIST
Inp	1165.00		NIST
Inp	1150.00		NIST
Inp	1176.00		NIST
Inp	1178.00		NIST
Inp	1162.00		NIST
Inp	1173.00		NIST
Inp	1171.00		NIST
Inp	1160.00		NIST
Inp	Outlier 1199.00		NIST
Inp	1164.00		NIST
Ip	[1698.00; 1778.00]
Ip	1741.00		NIST
Ip	1716.00		NIST
Ip	1722.00		NIST
Ip	1741.00		NIST
Ip	1740.00		NIST
Ip	1712.00		NIST
Ip	1731.00		NIST
Ip	1731.00		NIST
Ip	1717.00		NIST
Ip	1770.00		NIST
Ip	1742.30		NIST
Ip	1731.00		NIST
Ip	1739.00		NIST
Ip	1739.00		NIST
Ip	1745.00		NIST
Ip	1724.00		NIST
Ip	1724.00		NIST
Ip	1746.00		NIST
Ip	1719.00		NIST
Ip	1723.00		NIST
Ip	1731.00		NIST
Ip	1716.00		NIST
Ip	1739.00		NIST
Ip	1749.00		NIST
Ip	1756.00		NIST
Ip	1747.00		NIST
Ip	1763.00		NIST
Ip	1749.00		NIST
Ip	1750.00		NIST
Ip	1759.00		NIST
Ip	1751.00		NIST
Ip	1753.00		NIST
Ip	1751.00		NIST
Ip	1750.00		NIST
Ip	1729.00		NIST
Ip	Outlier 1778.00		NIST
Ip	Outlier 1698.00		NIST
Ip	Outlier 1698.00		NIST
Ip	1727.00		NIST
Ip	1736.00		NIST
Ip	1736.00		NIST
Ip	1735.00		NIST
Ip	1732.00		NIST
Ip	1770.00		NIST
Ip	1755.00		NIST
Ip	1755.00		NIST
Ip	1716.00		NIST
Ip	1731.00		NIST
Ip	1747.00		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	[196.23; 557.97]	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			-1.40290e+02
Coefficient B			1.61776e+00
Coefficient C			-1.59500e-03
Coefficient D			6.75500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.23	J/mol×K	273.00	Calculated Property
Cp,gas	262.32	J/mol×K	353.78	Calculated Property
Cp,gas	316.95	J/mol×K	434.56	Calculated Property
Cp,gas	362.26	J/mol×K	515.33	Calculated Property
Cp,gas	400.38	J/mol×K	596.11	Calculated Property
Cp,gas	433.46	J/mol×K	676.89	Calculated Property
Cp,gas	463.61	J/mol×K	757.67	Calculated Property
Cp,gas	493.00	J/mol×K	838.44	Calculated Property
Cp,gas	523.74	J/mol×K	919.22	Calculated Property
Cp,gas	557.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (3R,6S)-2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.