Chemical Properties of cis-Linaloloxide

InChI

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

InChI Key

SATQWIIUJKWZNO-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=CC(C)(O)CCC1OC1(C)C

Molecular Weight¹

170.25

Other Names

• cis-Linalol oxide (furanoid)
• cis-Linalol oxide (f)
• cis-Linalol oxide fur.
• (Z)-Linalol oxide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	17.94	kJ/mol	Joback Calculated Property
ΔvapH°	65.33	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.69		Relay (1.0) Calculated Property
logPoct/wat	1.881		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Inp	[1045.00; 1087.00]
Inp	1083.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1062.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1066.00		NIST
Inp	1062.00		NIST
Inp	1057.00		NIST
Inp	Outlier 1087.00		NIST
Inp	1069.00		NIST
Inp	1068.00		NIST
Inp	1059.00		NIST
Inp	1066.00		NIST
Inp	1056.00		NIST
Inp	1075.00		NIST
Inp	1075.00		NIST
Inp	1075.00		NIST
Inp	1073.00		NIST
Inp	Outlier 1045.00		NIST
Inp	1057.00		NIST
Inp	1066.00		NIST
Inp	1075.00		NIST
Inp	1083.00		NIST
I	[1420.00; 1485.00]
I	1435.00		NIST
I	1420.00		NIST
I	1420.00		NIST
I	1444.00		NIST
I	1465.00		NIST
I	1425.00		NIST
I	1485.00		NIST
I	1439.00		NIST
I	1484.00		NIST
I	1485.00		NIST
I	1479.00		NIST
I	1475.00		NIST
I	1468.00		NIST
I	1444.00		NIST
I	1484.00		NIST
Tboil	482.64	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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[382.52; 454.24]	J/mol×K	[543.09; 730.69]
Cp,gas	382.52	J/mol×K	543.09	Joback Calculated Property
Cp,gas	396.33	J/mol×K	574.36	Joback Calculated Property
Cp,gas	409.26	J/mol×K	605.62	Joback Calculated Property
Cp,gas	421.41	J/mol×K	636.89	Joback Calculated Property
Cp,gas	432.89	J/mol×K	668.16	Joback Calculated Property
Cp,gas	443.80	J/mol×K	699.42	Joback Calculated Property
Cp,gas	454.24	J/mol×K	730.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Linaloloxide.

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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