Chemical Properties of Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)- (CAS 18431-82-8)

InChI

InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3

InChI Key

WLNGPDPILFYWKF-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C1CCCC(C)(C)C12CC=C(C)CC2

Molecular Weight¹

204.35

CAS

18431-82-8

Other Names

• «beta»-Chamigrene
• Chamigren
• Chamigrene
• Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (R)-

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2556		Relay (... Calculated Property
ΔfG°	198.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-39.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.45	kJ/mol	Joback Calculated Property
ΔvapH°	61.18	kJ/mol	Relay (... Calculated Property
IE	8.49	eV	Relay (... Calculated Property
log10WS	-4.98		Relay (... Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Inp	[1450.00; 1503.00]
Inp	1478.00		NIST
Inp	1499.00		NIST
Inp	1472.00		NIST
Inp	1495.00		NIST
Inp	1468.00		NIST
Inp	1468.00		NIST
Inp	Outlier 1451.00		NIST
Inp	1474.00		NIST
Inp	Outlier 1503.00		NIST
Inp	1472.00		NIST
Inp	1475.00		NIST
Inp	1475.00		NIST
Inp	1476.00		NIST
Inp	1476.00		NIST
Inp	1495.00		NIST
Inp	1475.00		NIST
Inp	1465.00		NIST
Inp	1474.00		NIST
Inp	1475.00		NIST
Inp	1486.00		NIST
Inp	1489.00		NIST
Inp	1488.00		NIST
Inp	1458.00		NIST
Inp	1475.00		NIST
Inp	1488.00		NIST
Inp	1475.00		NIST
Inp	1487.00		NIST
Inp	Outlier 1500.00		NIST
Inp	1478.00		NIST
Inp	1484.00		NIST
Inp	1474.00		NIST
Inp	Outlier 1450.00		NIST
Inp	1479.00		NIST
Inp	1474.00		NIST
Inp	1475.00		NIST
Inp	1473.00		NIST
Inp	1470.00		NIST
Inp	1478.00		NIST
Inp	1478.00		NIST
Inp	1466.00		NIST
Inp	1477.00		NIST
Inp	1482.00		NIST
Inp	1477.00		NIST
Inp	1474.00		NIST
Inp	1477.00		NIST
Inp	1475.00		NIST
Inp	1486.00		NIST
Inp	1475.00		NIST
Inp	1478.00		NIST
Inp	1495.00		NIST
Inp	1475.00		NIST
Inp	1481.00		NIST
Inp	1495.00		NIST
Inp	1495.00		NIST
Inp	1476.00		NIST
Inp	1474.00		NIST
Inp	1474.00		NIST
Inp	1478.00		NIST
Inp	1478.00		NIST
Inp	1475.00		NIST
Inp	1490.00		NIST
Inp	1490.00		NIST
Inp	1467.00		NIST
Inp	1473.00		NIST
Inp	1473.00		NIST
Inp	1475.00		NIST
Inp	Outlier 1501.00		NIST
Inp	1481.00		NIST
Inp	1486.00		NIST
Inp	1468.00		NIST
I	[1686.00; 1755.00]
I	1737.00		NIST
I	1735.00		NIST
I	1740.00		NIST
I	Outlier 1686.00		NIST
I	1723.00		NIST
I	1701.00		NIST
I	1701.00		NIST
I	1755.00		NIST
I	1702.00		NIST
I	1726.00		NIST
I	1737.00		NIST
I	1724.00		NIST
I	1735.00		NIST
I	1740.00		NIST
I	1726.00		NIST
Tboil	536.69	K	Relay (... Calculated Property
Tc	730.62	K	Relay (... Calculated Property
Tfus	324.11	K	Relay (... Calculated Property
Vc	0.633	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.46; 620.44]	J/mol×K	[581.21; 816.28]
Cp,gas	499.46	J/mol×K	581.21	Joback Calculated Property
Cp,gas	522.35	J/mol×K	620.39	Joback Calculated Property
Cp,gas	543.78	J/mol×K	659.57	Joback Calculated Property
Cp,gas	564.03	J/mol×K	698.74	Joback Calculated Property
Cp,gas	583.37	J/mol×K	737.92	Joback Calculated Property
Cp,gas	602.08	J/mol×K	777.10	Joback Calculated Property
Cp,gas	620.44	J/mol×K	816.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)-.

Sources

• Cheméo Relay (1.0)
• 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.