Chemical Properties of Lanceol, cis (CAS 10067-28-4)

InChI

InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5-

InChI Key

HBVOEGGRCJCMLG-ACAGNQJTSA-N

Formula

C15H24O

SMILES

C=C(CC/C=C(/C)CO)C1CC=C(C)CC1

Molecular Weight¹

220.36

CAS

10067-28-4

Other Names

• (Z)-Lanceol
• cis-Lanceol

• 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).
• IE : Ionization energy (eV).
• 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_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.66	kJ/mol	Joback Calculated Property
ΔvapH°	95.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	4.008		Crippen Calculated Property
McVol	204.320	ml/mol	McGowan Calculated Property
Inp	[1739.00; 1807.00]
Inp	1753.00		NIST
Inp	1766.10		NIST
Inp	1761.00		NIST
Inp	1763.90		NIST
Inp	1781.00		NIST
Inp	1746.00		NIST
Inp	1739.00		NIST
Inp	1762.00		NIST
Inp	Outlier 1807.00		NIST
Inp	1763.00		NIST
Inp	1753.00		NIST
Inp	1753.00		NIST
Inp	1746.00		NIST
Inp	Outlier 1807.00		NIST
Ip	[2449.00; 2518.00]
Ip	2449.00		NIST
Ip	2453.00		NIST
Ip	2518.00		NIST
Ip	2518.00		NIST
Ip	2518.00		NIST
Tboil	590.56	K	Relay (1.0) Calculated Property
Tfus	283.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[270.64; 702.96]	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			-6.55370e+01
Coefficient B			1.46924e+00
Coefficient C			-9.35140e-04
Coefficient D			2.34400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.64	J/mol×K	273.00	Calculated Property
Cp,gas	347.59	J/mol×K	353.78	Calculated Property
Cp,gas	415.57	J/mol×K	434.56	Calculated Property
Cp,gas	475.35	J/mol×K	515.33	Calculated Property
Cp,gas	527.65	J/mol×K	596.11	Calculated Property
Cp,gas	573.21	J/mol×K	676.89	Calculated Property
Cp,gas	612.78	J/mol×K	757.67	Calculated Property
Cp,gas	647.11	J/mol×K	838.44	Calculated Property
Cp,gas	676.92	J/mol×K	919.22	Calculated Property
Cp,gas	702.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Lanceol, cis.

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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