Chemical Properties of (8R,8aS)-8,8a-Dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene (CAS 27840-40-0)

InChI

InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12H,6,8,10H2,1-4H3

InChI Key

QSUQBXKPPUWLTH-UHFFFAOYSA-N

Formula

C15H22

SMILES

CC(C)=C1CC=C2C=CCC(C)C2(C)C1

Molecular Weight¹

202.34

CAS

27840-40-0

Other Names

• 1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene
• Naphthalene, 1,2,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylethylidene)-, (1R,8aS)-
• 4«beta»H,5«alpha»-Eremophila-1,7(11),9-triene
• «beta»-Vatirenene
• «beta»-Vetivenene

• 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°	230.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-46.40	kJ/mol	Joback Calculated Property
ΔfusH°	17.25	kJ/mol	Joback Calculated Property
ΔvapH°	50.46	kJ/mol	Joback Calculated Property
log10WS	-4.97		Crippen Calculated Property
logPoct/wat	4.645		Crippen Calculated Property
McVol	187.590	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[1507.00; 1574.00]
Inp	1554.00		NIST
Inp	1574.00		NIST
Inp	1527.00		NIST
Inp	1540.00		NIST
Inp	Outlier 1507.00		NIST
Inp	1515.00		NIST
Inp	1544.00		NIST
Inp	1544.00		NIST
Inp	1563.00		NIST
Inp	1542.00		NIST
Inp	1547.00		NIST
Inp	1554.00		NIST
Inp	1540.00		NIST
I	[1852.00; 1885.00]
I	1885.00		NIST
I	1852.00		NIST
I	1864.00		NIST
I	1868.00		NIST
I	1868.00		NIST
I	1885.00		NIST
I	1885.00		NIST
I	1852.00		NIST
Tboil	583.22	K	Joback Calculated Property
Tc	812.62	K	Joback Calculated Property
Tfus	314.95	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[480.83; 591.45]	J/mol×K	[583.22; 812.62]
Cp,gas	480.83	J/mol×K	583.22	Joback Calculated Property
Cp,gas	502.10	J/mol×K	621.45	Joback Calculated Property
Cp,gas	522.00	J/mol×K	659.69	Joback Calculated Property
Cp,gas	540.71	J/mol×K	697.92	Joback Calculated Property
Cp,gas	558.40	J/mol×K	736.15	Joback Calculated Property
Cp,gas	575.26	J/mol×K	774.38	Joback Calculated Property
Cp,gas	591.45	J/mol×K	812.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to (8R,8aS)-8,8a-Dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.