Chemical Properties of Dehydro-sesquicineole

InChI

InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-,14-,15?/m0/s1

InChI Key

VLUGOADEEDGFLB-GRKKQISMSA-N

Formula

C15H24O

SMILES

CC(C)=CCCC1(C)O[C@@]2(C)C=C[C@H]1CC2

Molecular Weight¹

220.36

Other Names

• Dehydrosesquicineol

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.24	kJ/mol	Joback Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Inp	[1460.00; 1461.00]
Inp	1461.00		NIST
Inp	1460.00		NIST
I	1823.00		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	[258.46; 734.91]	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			-2.04288e+02
Coefficient B			2.22968e+00
Coefficient C			-2.20908e-03
Coefficient D			9.18600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.46	J/mol×K	273.00	Calculated Property
Cp,gas	348.71	J/mol×K	353.78	Calculated Property
Cp,gas	422.85	J/mol×K	434.56	Calculated Property
Cp,gas	483.79	J/mol×K	515.33	Calculated Property
Cp,gas	534.44	J/mol×K	596.11	Calculated Property
Cp,gas	577.70	J/mol×K	676.89	Calculated Property
Cp,gas	616.47	J/mol×K	757.67	Calculated Property
Cp,gas	653.65	J/mol×K	838.44	Calculated Property
Cp,gas	692.17	J/mol×K	919.22	Calculated Property
Cp,gas	734.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dehydro-sesquicineole.

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.
These property values are available through the Cheméo API. A free account gives you an access key.