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

• 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°	376.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-28.27	kJ/mol	Joback Calculated Property
ΔfusH°	21.43	kJ/mol	Joback Calculated Property
ΔvapH°	57.23	kJ/mol	Joback Calculated Property
log10WS	-6.58		Crippen 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	678.58	K	Joback Calculated Property
Tc	899.61	K	Joback Calculated Property
Tfus	369.16	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback 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

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

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