Chemical Properties of Dihydrosesquicineole

InChI

InChI=1S/C15H28O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h12-13H,5-11H2,1-4H3/t13?,14-,15-/m0/s1

InChI Key

ANKKQGMQMYAVFB-FGRDXJNISA-N

Formula

C15H28O

SMILES

CC(C)CCCC1(C)OC2(C)CCC1CC2

Molecular Weight¹

224.38

• 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_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°	19.61	kJ/mol	Joback Calculated Property
ΔvapH°	65.83	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	4.550		Crippen Calculated Property
McVol	206.360	ml/mol	McGowan Calculated Property
Ip	[1794.00; 1794.00]
Ip	1794.00		NIST
Ip	1794.00		NIST
Tboil	535.55	K	Relay (1.0) Calculated Property
Tfus	268.13	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.48; 797.60]	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			-1.99877e+02
Coefficient B			2.27168e+00
Coefficient C			-2.13890e-03
Coefficient D			8.64700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.48	J/mol×K	273.00	Calculated Property
Cp,gas	374.38	J/mol×K	353.78	Calculated Property
Cp,gas	454.35	J/mol×K	434.56	Calculated Property
Cp,gas	521.11	J/mol×K	515.33	Calculated Property
Cp,gas	577.41	J/mol×K	596.11	Calculated Property
Cp,gas	625.97	J/mol×K	676.89	Calculated Property
Cp,gas	669.54	J/mol×K	757.67	Calculated Property
Cp,gas	710.85	J/mol×K	838.44	Calculated Property
Cp,gas	752.62	J/mol×K	919.22	Calculated Property
Cp,gas	797.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dihydrosesquicineole.

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