Chemical Properties of Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-

InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3

InChI Key

WTARULDDTDQWMU-UHFFFAOYSA-N

Formula

C10H16

SMILES

C=C1CCC2CC1C2(C)C

Molecular Weight¹

136.24

Other Names

• 2(10)-Pinene, (1S,5S)-(-)-
• (-)-«beta»-Pinene
• (-)-2(10)-Pinene
• L-«beta»-Pinene
• (1S)-(-)-«beta»-Pinene
• laevo-«beta»-Pinene
• 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane-, (S)-
• (-)-beta-Pinene
• Bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1S,5S)-
• (-)-Pin-2(10)-ene
• «beta»-Pinene-(1S)-(-)

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.90; 46.10]	kJ/mol	[328.00; 366.00]
ΔvapH	44.90	kJ/mol	328.00	NIST
ΔvapH	46.10	kJ/mol	366.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.69; 478.57]	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			-1.33570e+02
Coefficient B			1.39394e+00
Coefficient C			-1.29900e-03
Coefficient D			5.17200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.69	J/mol×K	273.00	Calculated Property
Cp,gas	219.89	J/mol×K	353.78	Calculated Property
Cp,gas	269.31	J/mol×K	434.56	Calculated Property
Cp,gas	310.58	J/mol×K	515.33	Calculated Property
Cp,gas	345.33	J/mol×K	596.11	Calculated Property
Cp,gas	375.20	J/mol×K	676.89	Calculated Property
Cp,gas	401.82	J/mol×K	757.67	Calculated Property
Cp,gas	426.84	J/mol×K	838.44	Calculated Property
Cp,gas	451.87	J/mol×K	919.22	Calculated Property
Cp,gas	478.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-.

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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