Chemical Properties of Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, [4aS-(4a«alpha»,5«alpha»,8a«beta»)]- (CAS 5957-33-5)

InChI

InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,9,17-18H,1,3,8,10-14H2,2,4-6H3/b15-9+/t17-,18?,20+/m1/s1

InChI Key

VJVMMXUPZGOBSN-DKVGYUDOSA-N

Formula

C20H32

SMILES

C=CC(C)=CCC1C(=C)CCC2C(C)(C)CCCC12C

Molecular Weight¹

272.47

CAS

5957-33-5

Other Names

• Labda-8(20),12,14-triene
• Biformen
• Biformene
• 1,1,4a-Trimethyl-6-methylene-5-[3-methyl-2,4-pentadienyl]decahydronaphthalene-, [4aS-(4a«alpha»,5«alpha»,8a«beta»)]-
• trans-Biformene
• cis-Biformene

• 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	0.3686		Relay (1.0) Calculated Property
ΔfG°	376.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔvapH°	77.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-6.20		Relay (1.0) Calculated Property
logPoct/wat	6.308		Crippen Calculated Property
McVol	258.040	ml/mol	McGowan Calculated Property
Pc	1439.16	kPa	Joback Calculated Property
Inp	[1931.00; 2004.00]
Inp	1962.00		NIST
Inp	1979.00		NIST
Inp	1985.00		NIST
Inp	2004.00		NIST
Inp	1931.00		NIST
I	[2330.00; 2370.00]
I	2330.00		NIST
I	2344.00		NIST
I	2370.00		NIST
I	2330.00		NIST
Tboil	601.48	K	Relay (1.0) Calculated Property
Tc	811.44	K	Relay (1.0) Calculated Property
Tfus	278.33	K	Relay (1.0) Calculated Property
Vc	0.860	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.52; 891.99]	J/mol×K	[678.58; 899.61]
Cp,gas	753.52	J/mol×K	678.58	Joback Calculated Property
Cp,gas	778.40	J/mol×K	715.42	Joback Calculated Property
Cp,gas	802.20	J/mol×K	752.26	Joback Calculated Property
Cp,gas	825.20	J/mol×K	789.09	Joback Calculated Property
Cp,gas	847.65	J/mol×K	825.93	Joback Calculated Property
Cp,gas	869.83	J/mol×K	862.77	Joback Calculated Property
Cp,gas	891.99	J/mol×K	899.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methyl-2,4-pentadienyl)-, [4aS-(4a«alpha»,5«alpha»,8a«beta»)]-.

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.