Chemical Properties of Lanceol oxide

InChI

InChI=1S/C14H22O/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-15-14/h4,6,13-14H,3,5,7-10H2,1-2H3

InChI Key

QTWUDCCAKQVTQQ-UHFFFAOYSA-N

Formula

C14H22O

SMILES

CC1=CCC(C2CCC=C(C)CO2)CC1

Molecular Weight¹

206.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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°	23.23	kJ/mol	Joback Calculated Property
logPoct/wat	3.858		Crippen Calculated Property
McVol	183.670	ml/mol	McGowan Calculated Property
Inp	[1695.00; 1695.00]
Inp	1695.00		NIST
Inp	1695.00		NIST
Tboil	557.82	K	Relay (1.0) Calculated Property
Tfus	272.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[230.86; 664.37]	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			-8.46900e+01
Coefficient B			1.33444e+00
Coefficient C			-6.79980e-04
Coefficient D			9.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	230.86	J/mol×K	273.00	Calculated Property
Cp,gas	306.49	J/mol×K	353.78	Calculated Property
Cp,gas	374.55	J/mol×K	434.56	Calculated Property
Cp,gas	435.36	J/mol×K	515.33	Calculated Property
Cp,gas	489.19	J/mol×K	596.11	Calculated Property
Cp,gas	536.36	J/mol×K	676.89	Calculated Property
Cp,gas	577.17	J/mol×K	757.67	Calculated Property
Cp,gas	611.90	J/mol×K	838.44	Calculated Property
Cp,gas	640.87	J/mol×K	919.22	Calculated Property
Cp,gas	664.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035446; 0.0001727]	Pa×s	[311.91; 583.91]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21295e+01
Coefficient B			2.02342e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			311.91
Temperature range, max.			583.91
η	0.0035446	Pa×s	311.91	Calculated Property
η	0.0019985	Pa×s	342.13	Calculated Property
η	0.0012366	Pa×s	372.35	Calculated Property
η	0.0008224	Pa×s	402.58	Calculated Property
η	0.0005789	Pa×s	432.80	Calculated Property
η	0.0004267	Pa×s	463.02	Calculated Property
η	0.0003264	Pa×s	493.24	Calculated Property
η	0.0002576	Pa×s	523.46	Calculated Property
η	0.0002086	Pa×s	553.69	Calculated Property
η	0.0001727	Pa×s	583.91	Calculated Property

Similar Compounds

Find more compounds similar to Lanceol oxide.

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.
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