Chemical Properties of Naphthalene, decahydro-1,1,4a-trimethyl-6-methylene-5-(3-methylene-4-pentenyl)-, [4aS-(4a«alpha»,5«alpha»,8a«beta»)]- (CAS 511-02-4)

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/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18?,20+/m1/s1

InChI Key

KYLKKZSVPLUGCC-IKCNDWCXSA-N

Formula

C20H32

SMILES

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

Molecular Weight¹

272.47

CAS

511-02-4

Other Names

• Labda-8(20),13(16),14-triene
• Sclaren
• Sclarene

• 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°	384.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-20.06	kJ/mol	Joback Calculated Property
ΔfusH°	19.94	kJ/mol	Joback Calculated Property
ΔvapH°	56.61	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	1428.30	kPa	Joback Calculated Property
Inp	[1931.00; 1964.00]
Inp	1933.00		NIST
Inp	1964.00		NIST
Inp	1931.00		NIST
Inp	1935.00		NIST
Inp	1942.00		NIST
I	[2233.00; 2259.00]
I	2233.00		NIST
I	2259.00		NIST
Tboil	671.10	K	Joback Calculated Property
Tc	887.82	K	Joback Calculated Property
Tfus	372.48	K	Joback Calculated Property
Vc	0.979	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[751.01; 887.55]	J/mol×K	[671.10; 887.82]
Cp,gas	751.01	J/mol×K	671.10	Joback Calculated Property
Cp,gas	775.70	J/mol×K	707.22	Joback Calculated Property
Cp,gas	799.30	J/mol×K	743.34	Joback Calculated Property
Cp,gas	822.04	J/mol×K	779.46	Joback Calculated Property
Cp,gas	844.17	J/mol×K	815.58	Joback Calculated Property
Cp,gas	865.92	J/mol×K	851.70	Joback Calculated Property
Cp,gas	887.55	J/mol×K	887.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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