Chemical Properties of Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)- (CAS 17699-05-7)

InChI

InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3

InChI Key

YMBFCQPIMVLNIU-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC(C)=CCCC1(C)C2CC=C(C)C1C2

Molecular Weight¹

204.35

CAS

17699-05-7

Other Names

• 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-
• «alpha»-Bergamotene
• Bicyclo[3,1,1]hept-2-ene,2,6-dimethyl-6-[4-methyl-3-pentenyl]-
• 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene

• 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°	263.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.85	kJ/mol	Joback Calculated Property
ΔfusH°	23.27	kJ/mol	Joback Calculated Property
ΔvapH°	48.51	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1918.62	kPa	Joback Calculated Property
Inp	[1403.00; 1460.00]
Inp	1434.00		NIST
Inp	1435.00		NIST
Inp	1433.00		NIST
Inp	1434.00		NIST
Inp	1436.00		NIST
Inp	1440.00		NIST
Inp	1422.00		NIST
Inp	1434.00		NIST
Inp	1428.00		NIST
Inp	1430.00		NIST
Inp	1434.00		NIST
Inp	1440.00		NIST
Inp	1440.00		NIST
Inp	Outlier 1460.00		NIST
Inp	Outlier 1407.00		NIST
Inp	1430.00		NIST
Inp	1414.00		NIST
Inp	1425.00		NIST
Inp	1415.00		NIST
Inp	1430.00		NIST
Inp	1438.00		NIST
Inp	1422.00		NIST
Inp	1436.00		NIST
Inp	1436.00		NIST
Inp	1438.00		NIST
Inp	1425.00		NIST
Inp	1432.00		NIST
Inp	1440.00		NIST
Inp	1436.00		NIST
Inp	1437.00		NIST
Inp	1427.00		NIST
Inp	Outlier 1403.00		NIST
Inp	1437.00		NIST
Inp	1449.00		NIST
Inp	1439.00		NIST
Inp	1422.00		NIST
Inp	1427.00		NIST
Inp	1432.00		NIST
Inp	1434.00		NIST
Inp	1434.00		NIST
Inp	1436.00		NIST
Inp	1437.00		NIST
Inp	1435.00		NIST
Inp	1426.00		NIST
Inp	1430.00		NIST
Inp	1433.00		NIST
Inp	1428.00		NIST
Inp	1430.00		NIST
Inp	1429.00		NIST
Inp	1440.00		NIST
Inp	1422.00		NIST
Inp	1429.00		NIST
Inp	1430.00		NIST
Inp	1435.00		NIST
Inp	1440.00		NIST
Inp	Outlier 1456.00		NIST
Inp	1435.00		NIST
Inp	1434.00		NIST
Inp	1433.00		NIST
Inp	1436.00		NIST
Inp	1433.00		NIST
Inp	1435.00		NIST
Inp	1438.00		NIST
Inp	1439.00		NIST
Inp	1430.00		NIST
Inp	Outlier 1411.00		NIST
Inp	1427.00		NIST
Inp	1435.00		NIST
Inp	1433.00		NIST
Inp	Outlier 1408.00		NIST
Inp	1436.00		NIST
Inp	1429.00		NIST
Inp	1436.00		NIST
Inp	Outlier 1453.00		NIST
Inp	1428.00		NIST
Inp	1440.00		NIST
Inp	1436.00		NIST
Inp	1434.00		NIST
Inp	1429.00		NIST
Inp	1440.00		NIST
I	[1545.00; 1610.00]
I	1552.00		NIST
I	1554.00		NIST
I	1564.00		NIST
I	1584.00		NIST
I	1586.00		NIST
I	1566.00		NIST
I	1585.00		NIST
I	1592.00		NIST
I	1587.00		NIST
I	1575.00		NIST
I	1589.00		NIST
I	1588.00		NIST
I	1583.00		NIST
I	1603.00		NIST
I	1603.00		NIST
I	Outlier 1545.00		NIST
I	1558.00		NIST
I	1592.00		NIST
I	1597.00		NIST
I	1590.00		NIST
I	1569.00		NIST
I	1589.00		NIST
I	1570.00		NIST
I	1610.00		NIST
I	1595.00		NIST
I	1572.00		NIST
I	Outlier 1545.00		NIST
I	1570.00		NIST
I	1572.00		NIST
I	1567.00		NIST
I	1592.00		NIST
I	1583.00		NIST
I	1570.00		NIST
Tboil	564.10	K	Joback Calculated Property
Tc	771.48	K	Joback Calculated Property
Tfus	305.07	K	Joback Calculated Property
Vc	0.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[496.98; 604.03]	J/mol×K	[564.10; 771.48]
Cp,gas	496.98	J/mol×K	564.10	Joback Calculated Property
Cp,gas	517.47	J/mol×K	598.66	Joback Calculated Property
Cp,gas	536.69	J/mol×K	633.23	Joback Calculated Property
Cp,gas	554.80	J/mol×K	667.79	Joback Calculated Property
Cp,gas	571.95	J/mol×K	702.35	Joback Calculated Property
Cp,gas	588.31	J/mol×K	736.92	Joback Calculated Property
Cp,gas	604.03	J/mol×K	771.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-.

Sources

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

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