Chemical Properties of 2«alpha»,9-dihydroxy-1,8-cineole

InChI

InChI=1S/C10H18O3/c1-9-4-3-7(5-8(9)12)10(2,6-11)13-9/h7-8,11-12H,3-6H2,1-2H3/t7?,8-,9-,10-/m0/s1

InChI Key

YBBFHZOLGNSKEP-CFEUDACVSA-N

Formula

C10H18O3

SMILES

CC12CCC(CC1O)C(C)(CO)O2

Molecular Weight¹

186.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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 : 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°	19.43	kJ/mol	Joback Calculated Property
log10WS	-0.94		Relay (1.0) Calculated Property
logPoct/wat	0.687		Crippen Calculated Property
McVol	147.650	ml/mol	McGowan Calculated Property
I	[2801.00; 2801.00]
I	2801.00		NIST
I	2801.00		NIST
Tboil	545.37	K	Relay (1.0) Calculated Property
Tfus	396.78	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 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	[444.22; 518.24]	J/mol×K	[652.87; 847.05]
Cp,gas	444.22	J/mol×K	652.87	Joback Calculated Property
Cp,gas	457.22	J/mol×K	685.23	Joback Calculated Property
Cp,gas	469.74	J/mol×K	717.60	Joback Calculated Property
Cp,gas	481.94	J/mol×K	749.96	Joback Calculated Property
Cp,gas	493.99	J/mol×K	782.33	Joback Calculated Property
Cp,gas	506.03	J/mol×K	814.69	Joback Calculated Property
Cp,gas	518.24	J/mol×K	847.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2«alpha»,9-dihydroxy-1,8-cineole.

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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