Chemical Properties of Selina-3,7(11)-diene (CAS 6813-21-4)

InChI

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,14H,5,7-10H2,1-4H3/t14-,15+/m1/s1

InChI Key

WNRBYZQFEBIUGD-CABCVRRESA-N

Formula

C15H24

SMILES

CC1=CCCC2(C)CCC(=C(C)C)CC12

Molecular Weight¹

204.35

CAS

6813-21-4

Other Names

• Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethylidene)-, (4aR-trans)-
• Eudesma-3,7(11)-diene
• 4a,8-Dimethyl-2-(1-methylethylidene)-1,2,3,4,4a,5,6,8a-octahydronaphthalene-, (4aR-trans)-
• 3,7(11)-Selinadiene
• Selina-3,7(11)-dien

• 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	0.2935		Relay (1.0) Calculated Property
ΔfG°	200.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-25.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.02	kJ/mol	Joback Calculated Property
ΔvapH°	62.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-5.12		Relay (1.0) Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2069.88	kPa	Joback Calculated Property
Inp	[1518.00; 1562.00]
Inp	1545.00		NIST
Inp	1532.00		NIST
Inp	1542.00		NIST
Inp	1542.00		NIST
Inp	1538.00		NIST
Inp	1527.00		NIST
Inp	1542.00		NIST
Inp	1542.00		NIST
Inp	1535.00		NIST
Inp	1533.00		NIST
Inp	1544.00		NIST
Inp	1540.00		NIST
Inp	1543.00		NIST
Inp	1540.00		NIST
Inp	1544.00		NIST
Inp	1530.00		NIST
Inp	1550.50		NIST
Inp	1539.00		NIST
Inp	1546.00		NIST
Inp	1538.00		NIST
Inp	1547.00		NIST
Inp	Outlier 1523.00		NIST
Inp	1531.00		NIST
Inp	Outlier 1518.00		NIST
Inp	1548.00		NIST
Inp	1547.00		NIST
Inp	Outlier 1523.00		NIST
Inp	1543.00		NIST
Inp	1545.00		NIST
Inp	1544.00		NIST
Inp	1546.00		NIST
Inp	1543.00		NIST
Inp	1542.00		NIST
Inp	1540.00		NIST
Inp	Outlier 1562.00		NIST
Inp	1543.00		NIST
Inp	1540.00		NIST
Inp	1537.00		NIST
Inp	1540.00		NIST
Inp	1537.00		NIST
Inp	1542.00		NIST
Inp	1532.00		NIST
Inp	1540.00		NIST
Inp	1545.00		NIST
Inp	1539.00		NIST
Inp	1543.00		NIST
Inp	1543.00		NIST
Inp	1537.00		NIST
Inp	1531.00		NIST
Inp	1545.00		NIST
Inp	1537.00		NIST
Inp	1542.00		NIST
Inp	1547.00		NIST
Inp	1542.00		NIST
Inp	1541.00		NIST
Inp	1542.00		NIST
Inp	1547.00		NIST
Inp	Outlier 1560.00		NIST
Inp	Outlier 1560.00		NIST
Inp	1540.00		NIST
Inp	1542.00		NIST
Inp	1545.00		NIST
I	[1750.00; 1800.00]
I	1789.00		NIST
I	1778.00		NIST
I	1760.00		NIST
I	1776.00		NIST
I	1796.00		NIST
I	1800.00		NIST
I	Outlier 1750.00		NIST
I	1796.00		NIST
I	1793.00		NIST
I	1791.00		NIST
I	1796.00		NIST
I	1796.00		NIST
I	1797.00		NIST
I	1776.00		NIST
I	1793.00		NIST
Tboil	539.11	K	Relay (1.0) Calculated Property
Tc	740.85	K	Relay (1.0) Calculated Property
Tfus	261.09	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.06; 617.92]	J/mol×K	[584.06; 811.24]
Cp,gas	501.06	J/mol×K	584.06	Joback Calculated Property
Cp,gas	523.47	J/mol×K	621.92	Joback Calculated Property
Cp,gas	544.48	J/mol×K	659.79	Joback Calculated Property
Cp,gas	564.25	J/mol×K	697.65	Joback Calculated Property
Cp,gas	582.97	J/mol×K	735.51	Joback Calculated Property
Cp,gas	600.80	J/mol×K	773.38	Joback Calculated Property
Cp,gas	617.92	J/mol×K	811.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Selina-3,7(11)-diene.

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.