Chemical Properties of Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene- (CAS 5947-36-4)

InChI

InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3

InChI Key

LCYXQUJDODZYIJ-UHFFFAOYSA-N

Formula

C10H16O

SMILES

C=C1C(O)CC2CC1C2(C)C

Molecular Weight¹

152.23

CAS

5947-36-4

Other Names

• Pinocarveol
• 2(10)-Pinen-3-ol
• 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_p : 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°	14.60	kJ/mol	Joback Calculated Property
ΔvapH°	72.20	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Inp	[1109.00; 1152.00]
Inp	1146.00		NIST
Inp	Outlier 1109.00		NIST
Inp	1141.00		NIST
Inp	1147.00		NIST
Inp	1134.00		NIST
Inp	1137.00		NIST
Inp	1134.00		NIST
Inp	1152.00		NIST
Inp	1138.00		NIST
Inp	1152.00		NIST
Inp	1139.00		NIST
Inp	1128.00		NIST
Inp	1132.00		NIST
Inp	1138.00		NIST
Inp	1117.00		NIST
Inp	1132.00		NIST
Inp	1141.00		NIST
Inp	1142.00		NIST
Inp	1143.00		NIST
Inp	1132.00		NIST
Inp	1135.00		NIST
Inp	1139.00		NIST
Inp	Outlier 1109.00		NIST
Inp	1138.00		NIST
Inp	1143.00		NIST
Inp	1139.00		NIST
Ip	[1632.00; 1690.00]
Ip	1642.00		NIST
Ip	1651.00		NIST
Ip	1632.00		NIST
Ip	1664.00		NIST
Ip	1661.00		NIST
Ip	Outlier 1690.00		NIST
Ip	1637.00		NIST
Ip	1654.00		NIST
Ip	1654.00		NIST
Ip	1653.00		NIST
Ip	1653.00		NIST
Ip	1661.00		NIST
Ip	1632.00		NIST
Ip	1642.00		NIST
Tboil	485.00	K	Relay (1.0) Calculated Property
Tfus	348.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[175.45; 503.90]	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			-1.22340e+02
Coefficient B			1.40144e+00
Coefficient C			-1.27400e-03
Coefficient D			4.98800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.45	J/mol×K	273.00	Calculated Property
Cp,gas	236.09	J/mol×K	353.78	Calculated Property
Cp,gas	287.02	J/mol×K	434.56	Calculated Property
Cp,gas	329.80	J/mol×K	515.33	Calculated Property
Cp,gas	366.02	J/mol×K	596.11	Calculated Property
Cp,gas	397.26	J/mol×K	676.89	Calculated Property
Cp,gas	425.08	J/mol×K	757.67	Calculated Property
Cp,gas	451.08	J/mol×K	838.44	Calculated Property
Cp,gas	476.83	J/mol×K	919.22	Calculated Property
Cp,gas	503.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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