Chemical Properties of (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene (CAS 7785-26-4)

InChI

InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9?/m1/s1

InChI Key

GRWFGVWFFZKLTI-VEDVMXKPSA-N

Formula

C10H16

SMILES

CC1=CCC2CC1C2(C)C

Molecular Weight¹

136.23

CAS

7785-26-4

Other Names

• 1S-«alpha»-Pinene
• (-)-«alpha»-Pinene
• L-«alpha»-Pinene
• Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
• 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene-, (1S,5S)-
• «alpha»-Pinene, (-)-
• (1S)-(-)-«alpha»-Pinene
• 1S-(-)-a-pinene
• (-)-pin-2(3)-ene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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
ΔcH°liquid	-6150.50	kJ/mol	NIST
ΔfG°	149.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.08	kJ/mol	Joback Calculated Property
ΔfusH°	11.43	kJ/mol	Joback Calculated Property
ΔvapH°	37.35	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	125.740	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[922.57; 967.39]
Inp	941.76		NIST
Inp	945.19		NIST
Inp	948.69		NIST
Inp	952.30		NIST
Inp	955.94		NIST
Inp	959.63		NIST
Inp	963.45		NIST
Inp	Outlier 967.39		NIST
Inp	928.69		NIST
Inp	931.87		NIST
Inp	935.08		NIST
Inp	938.37		NIST
Inp	941.85		NIST
Inp	945.26		NIST
Inp	948.88		NIST
Inp	952.43		NIST
Inp	956.02		NIST
Inp	922.57		NIST
Inp	925.64		NIST
Inp	928.73		NIST
Inp	931.91		NIST
Inp	935.13		NIST
Inp	938.44		NIST
Inp	937.00		NIST
Inp	937.00		NIST
Inp	959.00		NIST
Inp	936.00		NIST
Inp	934.00		NIST
Inp	936.00		NIST
Inp	938.00		NIST
Inp	929.00		NIST
Inp	930.00		NIST
Inp	937.00		NIST
Inp	959.00		NIST
I	[1008.00; 1030.00]
I	1030.00		NIST
I	1030.00		NIST
I	Outlier 1008.00		NIST
I	1029.00		NIST
I	1029.00		NIST
I	1030.00		NIST
Tboil	428.20	K	NIST
Tc	654.83	K	Joback Calculated Property
Tfus	218.39 ± 0.15	K	NIST
Vc	0.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.36; 365.49]	J/mol×K	[445.66; 654.83]
Cp,gas	274.36	J/mol×K	445.66	Joback Calculated Property
Cp,gas	292.47	J/mol×K	480.52	Joback Calculated Property
Cp,gas	309.23	J/mol×K	515.38	Joback Calculated Property
Cp,gas	324.78	J/mol×K	550.25	Joback Calculated Property
Cp,gas	339.25	J/mol×K	585.11	Joback Calculated Property
Cp,gas	352.77	J/mol×K	619.97	Joback Calculated Property
Cp,gas	365.49	J/mol×K	654.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene.

Sources

• 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.