Chemical Properties of Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1«alpha»,2«beta»,3«alpha»,5«alpha»)- (CAS 27779-29-9)

InChI

InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3

InChI Key

REPVLJRCJUVQFA-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC1C(O)CC2CC1C2(C)C

Molecular Weight¹

154.25

CAS

27779-29-9

Other Names

• 3-Pinanol, stereoisomer
• Isopinocampheol
• 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol-, (1R,2R,3R,5S)-rel-
• (1«alpha»,2«beta»,3«alpha»,5«alpha»)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

• 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.
• I : 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°	-22.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-308.30	kJ/mol	Joback Calculated Property
ΔfusH°	16.83	kJ/mol	Joback Calculated Property
ΔvapH°	52.45	kJ/mol	Joback Calculated Property
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	2906.11	kPa	Joback Calculated Property
Inp	[1120.00; 1190.00]
Inp	1120.00		NIST
Inp	1162.00		NIST
Inp	1178.00		NIST
Inp	1180.00		NIST
Inp	1190.00		NIST
Inp	1168.00		NIST
Inp	1168.00		NIST
Inp	1170.00		NIST
Inp	1190.00		NIST
Inp	1120.00		NIST
I	[1676.00; 1716.00]
I	1716.00		NIST
I	1703.00		NIST
I	1676.00		NIST
I	1676.00		NIST
Tboil	492.20	K	NIST
Tc	717.42	K	Joback Calculated Property
Tfus	306.82	K	Joback Calculated Property
Vc	0.515	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.48; 441.78]	J/mol×K	[524.36; 717.42]
Cp,gas	355.48	J/mol×K	524.36	Joback Calculated Property
Cp,gas	372.00	J/mol×K	556.54	Joback Calculated Property
Cp,gas	387.53	J/mol×K	588.71	Joback Calculated Property
Cp,gas	402.17	J/mol×K	620.89	Joback Calculated Property
Cp,gas	416.03	J/mol×K	653.07	Joback Calculated Property
Cp,gas	429.20	J/mol×K	685.24	Joback Calculated Property
Cp,gas	441.78	J/mol×K	717.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1«alpha»,2«beta»,3«alpha»,5«alpha»)-.

Sources

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

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