Chemical Properties of 2-((3R,3aR,3bS,4R,7R,7aS)-3,7-Dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)propan-2-ol (CAS 220766-71-2)

InChI

InChI=1S/C15H26O/c1-9-7-8-15-10(2)5-6-11(14(3,4)16)13(15)12(9)15/h9-13,16H,5-8H2,1-4H3

InChI Key

UDKJLEWHLZPFOR-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1CCC23C(C)CCC(C(C)(C)O)C2C13

Molecular Weight¹

222.37

CAS

220766-71-2

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.50	kJ/mol	Joback Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Inp	[1588.00; 1600.60]
Inp	1600.60		NIST
Inp	1588.00		NIST
Inp	1595.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.23; 709.35]	J/mol×K	[642.27; 846.03]
Cp,gas	602.23	J/mol×K	642.27	Joback Calculated Property
Cp,gas	622.35	J/mol×K	676.23	Joback Calculated Property
Cp,gas	641.34	J/mol×K	710.19	Joback Calculated Property
Cp,gas	659.37	J/mol×K	744.15	Joback Calculated Property
Cp,gas	676.59	J/mol×K	778.11	Joback Calculated Property
Cp,gas	693.20	J/mol×K	812.07	Joback Calculated Property
Cp,gas	709.35	J/mol×K	846.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((3R,3aR,3bS,4R,7R,7aS)-3,7-Dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)propan-2-ol.

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

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