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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	82.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-347.45	kJ/mol	Joback Calculated Property
ΔfusH°	20.50	kJ/mol	Joback Calculated Property
ΔvapH°	62.20	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1588.00; 1600.60]
Inp	1600.60		NIST
Inp	1588.00		NIST
Inp	1595.00		NIST
Tboil	642.27	K	Joback Calculated Property
Tc	846.03	K	Joback Calculated Property
Tfus	383.53	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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