Chemical Properties of 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)- (CAS 1135-66-6)

InChI

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

InChI Key

CQUAYTJDLQBXCQ-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1(C)C2=CCCC(C)(C)C23CCC1C3

Molecular Weight¹

204.35

CAS

1135-66-6

Other Names

• 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-(-)-
• Isolongifolene
• 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-
• 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S-cis)-
• (-)-Isolongifoline
• Isolongipholene
• (2S)-1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene

• 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	0.3097		Relay (... Calculated Property
ΔfG°	229.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-48.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.82	kJ/mol	Joback Calculated Property
ΔvapH°	60.59	kJ/mol	Relay (... Calculated Property
IE	7.96	eV	Relay (... Calculated Property
log10WS	-5.28		Relay (... Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2278.41	kPa	Joback Calculated Property
Inp	[1357.90; 1430.00]
Inp	1390.00		NIST
Inp	Outlier 1430.00		NIST
Inp	1397.00		NIST
Inp	1367.00		NIST
Inp	1386.00		NIST
Inp	1402.00		NIST
Inp	1388.00		NIST
Inp	1409.00		NIST
Inp	1391.10		NIST
Inp	1390.00		NIST
Inp	Outlier 1357.90		NIST
Inp	1372.80		NIST
Inp	1385.00		NIST
Inp	1387.00		NIST
Inp	1399.00		NIST
Inp	1387.00		NIST
Inp	1402.00		NIST
Inp	1386.00		NIST
Inp	1419.00		NIST
Inp	1397.00		NIST
Inp	1394.00		NIST
Inp	1394.00		NIST
Inp	1377.00		NIST
Inp	1389.00		NIST
Inp	1389.00		NIST
Inp	1406.00		NIST
Inp	Outlier 1357.90		NIST
Inp	1406.00		NIST
Inp	1377.00		NIST
Inp	1406.00		NIST
I	1608.00		NIST
Tboil	516.84	K	Relay (... Calculated Property
Tc	767.16	K	Relay (... Calculated Property
Tfus	391.02	K	Relay (... Calculated Property
Vc	0.669	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.53; 620.08]	J/mol×K	[571.55; 806.48]
Cp,gas	501.53	J/mol×K	571.55	Joback Calculated Property
Cp,gas	523.86	J/mol×K	610.71	Joback Calculated Property
Cp,gas	544.56	J/mol×K	649.86	Joback Calculated Property
Cp,gas	564.09	J/mol×K	689.02	Joback Calculated Property
Cp,gas	582.88	J/mol×K	728.17	Joback Calculated Property
Cp,gas	601.40	J/mol×K	767.33	Joback Calculated Property
Cp,gas	620.08	J/mol×K	806.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-.

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.